***Start*** ***Start*** Calculate DB00404 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00404.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00404_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1697488978 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00693 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00693.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00693_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 233599480 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04824 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04824.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04824_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1046343925 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00209 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00209.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00209_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1870842072 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00504 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00504.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00504_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -787060046 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00655 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00655.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00655_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 819627952 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00434 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00434.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00434_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1627673993 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01185 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01185.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01185_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1249399808 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00934 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00934.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00934_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -252556996 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00327 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00327.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00327_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 564894101 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01586 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01586.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01586_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1370590768 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01250 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01250.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01250_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1289471904 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00783 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00783.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00783_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 343083778 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00579 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00579.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00579_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1151133437 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00568 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00568.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00568_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1963885732 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09195 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09195.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB09195_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 111880387 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00475 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00475.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00475_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1763253174 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00751 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00751.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00751_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -927365319 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01395 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01395.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01395_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -124014948 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00318 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00318.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00318_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1482686442 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06148 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06148.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06148_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2001875476 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00685 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00685.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00685_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1196172680 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00674 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00674.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00674_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2036047556 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01452 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01452.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01452_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1448512256 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00295 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00295.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00295_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 968602288 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01215 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01215.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01215_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1776659399 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05015 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05015.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB05015_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -913951588 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01591 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01591.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01591_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -271335587 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00735 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00735.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00735_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1361245888 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06777 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06777.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06777_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2106846180 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06697 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06697.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06697_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -342853072 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01183 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01183.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01183_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1256805234 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11791 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11791.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB11791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 354816340 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00540 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00540.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00540_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2025040345 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08976 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08976.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB08976_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1454806976 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00455 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00455.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00455_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1808030062 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00624 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00624.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00624_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -870805876 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00598 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00598.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00598_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 728860076 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00737 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00737.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00737_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1111324305 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09015 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09015.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB09015_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -260911466 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04821 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04821.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04821_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1364636564 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00875 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00875.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00875_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1325954392 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01320 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01320.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01320_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -590610724 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01589 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01589.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01589_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1046707573 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13501 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13501.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB13501_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1875955136 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00543 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00543.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00543_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 976341452 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00719 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00719.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00719_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1411368108 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04816 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04816.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04816_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1896124986 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01074 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01074.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01074_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1088050391 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04573 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04573.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04573_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1441699590 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00714 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00714.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00714_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1554825673 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06212 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06212.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06212_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -562690522 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01595 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01595.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01595_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1620782504 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00344 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00344.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00344_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 973520661 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01708 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01708.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01708_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1788617632 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00991 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00991.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00991_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 13933040 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08907 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08907.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB08907_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1861597824 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09219 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09219.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB09219_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2092818360 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06202 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06202.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06202_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -474369857 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00956 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00956.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00956_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1499519373 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00977 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00977.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00977_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -691468418 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01609 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01609.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01609_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 919931936 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00998 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00998.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00998_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1721310202 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11943 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11943.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB11943_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 674632841 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06711 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06711.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06711_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -388118107 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13114 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13114.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB13114_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 419936790 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00820 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00820.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00820_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1237398255 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00967 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00967.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00967_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -638104394 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09068 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09068.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB09068_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 169952177 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00771 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00771.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00771_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1719657462 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09291 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09291.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB09291_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 522611996 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11219 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11219.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB11219_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 455800010 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01009 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01009.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01009_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2060162681 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04842 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04842.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04842_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1158174304 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00621 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00621.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00621_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -630277727 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00427 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00427.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00427_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 184843328 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00854 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00854.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00854_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1004669371 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00257 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00257.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00257_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1690633242 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03619 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB03619.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB03619_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -74501506 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08801 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08801.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB08801_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1567508069 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12523 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12523.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB12523_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1905277288 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09209 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09209.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB09209_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 537747207 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06718 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06718.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06718_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2122261219 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01025 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01025.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01025_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1268380734 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13872 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13872.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB13872_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2090567113 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00245 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00245.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00245_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1389271208 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06603 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06603.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06603_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 231577248 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04571 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04571.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04571_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1606233520 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12293 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12293.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB12293_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -190662176 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01117 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01117.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01117_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 799164392 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13246 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13246.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB13246_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 633624311 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00969 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00969.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00969_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2054604411 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06729 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06729.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB06729_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1973668826 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11951 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11951.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB11951_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1151473765 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00376 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00376.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00376_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -298686976 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00652 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00652.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB00652_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 525862919 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04908 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04908.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB04908_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1338647446 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12278 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12278.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB12278_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2115295999 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01267 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01267.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 16 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB01267_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -222203017 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12300 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12300.pdbqt --center_x 11.193 --center_y -4.458 --center_z 4.980 --size_x 12 --size_y 11 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519195342/screen/DB12300_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 628236354 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done.