***Start*** ***Start*** Calculate T1123 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1123.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T1123_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: -580949600 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 TN1142 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1142.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1142_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: -2037914894 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 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1860 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1860.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1860_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: -1230983833 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 T5S0788 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0788.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S0788_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: 411770396 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 T3850 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3850.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3850_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: 350132401 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 T3S1955 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1955.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3S1955_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: -639307408 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 T5S1598 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1598.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/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: 1107962624 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 TN1278 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1278.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1278_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: -1530900025 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 T5710 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5710.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5710_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: 165217200 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 T2775 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2775.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2775_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: -1059069666 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 T3778 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3778.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3778_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: 803030541 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 T2787 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2787.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2787_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: 1685552508 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S0295 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0295.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4S0295_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: -1753683112 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 T3S0137 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0137.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3S0137_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: -938624904 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 T5S1262 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1262.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S1262_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: -98329739 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 T2S1086 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S1086.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2S1086_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: -997981976 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 T2910 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2910.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2910_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: -2000674168 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 TN1891 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1891.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1891_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: -1191499522 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 T6S0270 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0270.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S0270_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: 437967909 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 T3891 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3891.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3891_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: 2109683037 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 TJS0851 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TJS0851.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TJS0851_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: -502447482 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T2964 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2964.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2964_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: 2035493713 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T2885 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2885.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2885_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: -1404347757 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1959 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1959.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S1959_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: 231808319 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 T3887 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3887.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3887_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: 1056558552 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 T3808 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3808.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3808_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: -735243472 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 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T2781 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2781.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2781_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: 1873901051 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1041 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1041.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1041_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: -818255308 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 T19768 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T19768.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T19768_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: 909104137 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 T5S1607 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1607.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S1607_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: -1702979330 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 TN1723 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1723.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1723_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: -1843048824 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 TMS1743 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TMS1743.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TMS1743_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: -233555384 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 T3846 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3846.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3846_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: 586762016 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 T8852 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8852.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T8852_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: -2087587947 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 T4073 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4073.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4073_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: -878664390 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN3575 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN3575.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN3575_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: 50668328 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 T3880 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3880.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/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: -833341440 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 T6169 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6169.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6169_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: 133036672 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 T1660 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1660.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/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: 940021634 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 T7032 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7032.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T7032_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: 1895283415 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 T2847 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2847.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2847_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: -1579348154 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 T6S1371 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1371.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S1371_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: -774585610 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 T7846 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7846.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T7846_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: 88023564 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 T4S1637 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S1637.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4S1637_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: 908361559 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 T2962 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2962.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2962_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: 1748724428 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 T5061 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5061.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5061_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: -1714778629 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 T4518 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4518.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4518_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: -910013088 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 T4115 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4115.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4115_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: -1665063546 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 TN6740 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6740.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN6740_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: -846946698 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 T5240 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5240.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5240_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: -37729516 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 T6S0141 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0141.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S0141_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: 461664987 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 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T1703 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1703.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T1703_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: 1459010813 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 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1691 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1691.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1691_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: -415162976 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 T3S1957 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1957.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3S1957_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: -1279291122 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 T6S0139 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0139.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S0139_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: -452356142 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 T2899 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2899.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2899_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: 1168178688 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 T3765 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3765.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3765_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: 2030676189 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 TN1984 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1984.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1984_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: -1441797976 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 TN2435 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2435.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN2435_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: 1968243012 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 T2789 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2789.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2789_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: -726184880 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 TN1774 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1774.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1774_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: 969933938 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 T2919 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2919.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2919_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: 1799101625 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 TQ0287 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0287.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TQ0287_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: -1673365568 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 T2S0842 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0842.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2S0842_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: -6134556 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 TQ0070 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0070.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TQ0070_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: -1806916897 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 T5691 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5691.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5691_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: 1743230326 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 T6S0722 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0722.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S0722_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: -931175167 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 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2683 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2683.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN2683_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: -1798261317 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1969 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1969.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1969_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: -193255995 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S2140 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S2140.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S2140_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: 647042512 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 T4S0145 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0145.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4S0145_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: 1478448981 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 T5S2283 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2283.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S2283_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: -371207628 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T3427 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3427.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3427_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: 1253814108 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 TN1011 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1011.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN1011_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: -1376106940 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 T2972 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2972.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2972_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: 2083702452 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 TN5031 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN5031.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN5031_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: -1402085628 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 T3388 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3388.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3388_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: 1226313248 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1026 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1026.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S1026_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: -1399148882 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 T3376 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3376.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3376_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: -586270016 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 T3S0804 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0804.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3S0804_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: 1894652311 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 T3872 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3872.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3872_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: -1591129832 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 TN7070 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN7070.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN7070_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: 60599748 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 T5S0384 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0384.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T5S0384_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: 896473276 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 T3824 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3824.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3824_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: -723378490 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 T2794 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2794.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T2794_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: -1622996850 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 T3682 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3682.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3682_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: 84344264 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S1457 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1457.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3S1457_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: 1776122552 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 T6S1302 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1302.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S1302_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: -900458264 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 T3002 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3002.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3002_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: 842426112 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 T8260 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8260.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 10 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T8260_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: 1656069025 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 T3056 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3056.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3056_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: -1033853697 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 T7781 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7781.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T7781_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: 1387060896 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 T8859 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8859.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T8859_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: -1193863448 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 T6S0413 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0413.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T6S0413_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: -373542808 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 T3233 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3233.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3233_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: 451227400 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T3683 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3683.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T3683_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: 1324937078 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 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN7027 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN7027.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/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: -141386713 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 T4S0176 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0176.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4S0176_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: -1644773564 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 T4902 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4902.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/T4902_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: -33032219 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 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2008 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2008.pdbqt --center_x 6.780 --center_y -1.155 --center_z -1.844 --size_x 15 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260519194352/screen/TN2008_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: 1782602920 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.