***Start*** ***Start*** Calculate T0295 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0295.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 26 --size_y 29 --size_z 28 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T0295_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: -400523064 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 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S1265 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1265.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3S1265_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: 1072653766 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 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T6473 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6473.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 26 --size_z 26 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6473_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: 398995272 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 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T3774 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3774.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 26 --size_z 26 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3774_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: -512129892 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 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T1633 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1633.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 26 --size_y 30 --size_z 28 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T1633_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: -227113998 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 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1099 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1099.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1099_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: -184189376 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 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S2295 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S2295.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2S2295_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: 725746103 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 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T3913 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3913.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3913_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: 1561067678 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 T2768 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2768.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2768_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: -40146464 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 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T5701 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5701.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5701_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: -827645842 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 T0228 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0228.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T0228_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: 1986465928 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 T5S1025 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1025.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1025_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: -596691643 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 T3912 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3912.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3912_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: 355937184 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 T4S0181 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0181.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4S0181_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: 604589850 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 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T1035 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1035.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T1035_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: 1462796516 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 T3395 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3395.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3395_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: -1134030190 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 T5796 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5796.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5796_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: -1898592962 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 TN1499 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1499.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1499_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: -927250851 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 T6S0221 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0221.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S0221_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: -79687606 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 TN2105 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2105.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN2105_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: -1891373504 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 T1011 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1011.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 26 --size_y 30 --size_z 28 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T1011_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: -1054468222 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 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1103 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1103.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1103_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: 1570150813 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 TN1773 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1773.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1773_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: -1038800975 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 T6S1768 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1768.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S1768_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: -996840727 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 TN1877 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1877.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1877_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: 758209083 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 T3829 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3829.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3829_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: -1836988700 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 T2737 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2737.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2737_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: 110791682 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 T5074 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5074.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 26 --size_y 28 --size_z 28 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5074_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: 101011918 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 T4S2128 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2128.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4S2128_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: -667965472 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 TN7057 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN7057.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN7057_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: 1113715846 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 -6.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T4034 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4034.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4034_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: 1950668222 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 T5S0836 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0836.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S0836_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: 1354751037 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 T3879 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3879.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3879_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: 635110620 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 T8277 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8277.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T8277_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: -2019453312 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 T2855 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2855.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2855_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: -1991015002 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 T3787 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3787.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3787_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: 1454007718 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 T7600 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7600.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 26 --size_y 27 --size_z 27 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T7600_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: 891521613 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 T5S1649 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1649.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1649_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: -900097066 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 T3364 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3364.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3364_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: 1600399436 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 T3368 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3368.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3368_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: -1881898230 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 TMS2180 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TMS2180.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 26 --size_y 30 --size_z 28 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TMS2180_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: 836620574 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 T6S2146 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S2146.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S2146_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: -40298670 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 T3830 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3830.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3830_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: 19330665 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 TQ0036 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0036.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TQ0036_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: -2002497574 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 T4A2458 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4A2458.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4A2458_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: -1602896893 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 T6S2384 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S2384.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S2384_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: -799379776 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 T4S1312 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S1312.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4S1312_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: -1229916506 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 T3809 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3809.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 26 --size_z 26 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3809_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: -380508978 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 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2825 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2825.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 18 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2825_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: 1504008748 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 T3149 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3149.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3149_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: -1993549122 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 T5S1028 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1028.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1028_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: -1874722392 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 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T8166 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8166.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 26 --size_z 26 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T8166_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: 217567986 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 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T4035 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4035.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 26 --size_z 26 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4035_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: 1244952646 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 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1598 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1598.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1598_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: 2147247364 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 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T3874 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3874.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3874_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: -1321551160 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 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S2228 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2228.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 26 --size_z 26 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S2228_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: 298814841 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 T3802 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3802.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3802_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: 571655617 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 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T2791 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2791.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2791_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: -1936647540 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 T5S2129 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2129.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S2129_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: 1684722604 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 T5S1252 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1252.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1252_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: -1676684380 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 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T6395 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6395.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6395_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: 18348906 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 T3417 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3417.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3417_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: 1192248114 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 TN1714 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1714.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1714_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: -1453359284 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 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S0265 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0265.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2S0265_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: 1156253797 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 T7602 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7602.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T7602_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: -2028801672 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 T4S1024 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S1024.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4S1024_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: -341322004 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 T6S2315 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S2315.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S2315_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: -165754048 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 T6185 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6185.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6185_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: -1751959616 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 T4S2164 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2164.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4S2164_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: 713029315 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 T3795 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3795.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3795_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: 1612398172 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 T3863 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3863.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3863_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: 692101140 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 TMA1644 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TMA1644.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TMA1644_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: -1842192332 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 T3386 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3386.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3386_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: -226266224 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 TN1132 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1132.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1132_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: -1852046648 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 T2S0112 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0112.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2S0112_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: -193444364 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 TN2252 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2252.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN2252_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: -955266791 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 T3S1250 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1250.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3S1250_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: -54335488 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 T3S1253 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1253.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3S1253_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: 1656098908 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 TN1494 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1494.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1494_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: -1601830025 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 T3054 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3054.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3054_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: -732882706 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 TMA0958 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TMA0958.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TMA0958_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: 962343528 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 T5S1982 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1982.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1982_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: 332564227 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 T3892 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3892.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3892_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: 1253359760 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 T5S1172 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1172.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S1172_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: -268934745 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 TN7027 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN7027.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN7027_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: 1456836225 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 T4S2126 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2126.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T4S2126_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: 634571920 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 T6S2038 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S2038.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S2038_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: 1511187729 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 T6S0923 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0923.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S0923_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: -230631432 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 T5S0833 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0833.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5S0833_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: 588054385 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 TN6778 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6778.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN6778_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: 1698015160 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 T3810 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3810.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 25 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3810_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: -1764536168 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 T6S1487 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1487.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 24 --size_z 24 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T6S1487_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: 778556958 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 TJS0928 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TJS0928.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TJS0928_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: 1678346628 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 T1660 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1660.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T1660_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: 810605275 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 T5098 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5098.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 23 --size_z 23 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T5098_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: 1653865728 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 T2S0690 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0690.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2S0690_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: -834639750 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 T3797 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3797.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3797_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: 825896768 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 T2824 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2824.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 21 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T2824_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: 1672224723 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 T3880 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3880.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 18 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/T3880_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: -1131726560 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 TN1704 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1704.pdbqt --center_x 5.872 --center_y 29.895 --center_z -5.566 --size_x 21 --size_y 22 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516181125/screen/TN1704_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: 1493544776 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.