***Start*** ***Start*** Calculate T2764 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2764.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/20260507223444/screen/T2764_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1215023384 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0141 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -236673925 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 543224028 Performing search ... 0% 10 20 30 40 50 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 T6S2140 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 2009310206 Performing search ... 0% 10 20 30 40 50 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 T3S1955 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -728813070 Performing search ... 0% 10 20 30 40 50 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 T4S1658 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S1658.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/20260507223444/screen/T4S1658_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 59957758 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -976428866 Performing search ... 0% 10 20 30 40 50 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 TQ0070 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1342591900 Performing search ... 0% 10 20 30 40 50 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 T5S1026 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -2120719808 Performing search ... 0% 10 20 30 40 50 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 T2775 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1251299421 Performing search ... 0% 10 20 30 40 50 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 T3778 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1302982233 Performing search ... 0% 10 20 30 40 50 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 T3376 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 313031749 Performing search ... 0% 10 20 30 40 50 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 T2919 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1155051200 Performing search ... 0% 10 20 30 40 50 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 T5S1172 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1172.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/20260507223444/screen/T5S1172_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1940881627 Performing search ... 0% 10 20 30 40 50 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 T2S0842 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1120694554 Performing search ... 0% 10 20 30 40 50 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 T6S0139 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1251846048 Performing search ... 0% 10 20 30 40 50 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 T2S1086 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -463046294 Performing search ... 0% 10 20 30 40 50 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 T3S0136 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0136.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/20260507223444/screen/T3S0136_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1148576163 Performing search ... 0% 10 20 30 40 50 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 TN1774 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1579139162 Performing search ... 0% 10 20 30 40 50 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 T2885 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -23718795 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 772483096 Performing search ... 0% 10 20 30 40 50 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 T4073 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1559810177 Performing search ... 0% 10 20 30 40 50 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 T6S0722 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1117598988 Performing search ... 0% 10 20 30 40 50 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 TN1877 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1877.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/20260507223444/screen/TN1877_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -344109450 Performing search ... 0% 10 20 30 40 50 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 TN1723 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1940068715 Performing search ... 0% 10 20 30 40 50 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 T3427 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -806854045 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -1738587288 Performing search ... 0% 10 20 30 40 50 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 T5750 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5750.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/20260507223444/screen/T5750_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -964563395 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 584965020 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -1686476885 Performing search ... 0% 10 20 30 40 50 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 T5814 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5814.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/20260507223444/screen/T5814_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -876813760 Performing search ... 0% 10 20 30 40 50 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 TMS1743 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1658851672 Performing search ... 0% 10 20 30 40 50 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 T3887 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1085048128 Performing search ... 0% 10 20 30 40 50 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 T7846 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 315930384 Performing search ... 0% 10 20 30 40 50 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 T6S1101 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1101.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/20260507223444/screen/T6S1101_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1656879328 Performing search ... 0% 10 20 30 40 50 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 T2S0731 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0731.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/20260507223444/screen/T2S0731_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -25644338 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN3575 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1637960972 Performing search ... 0% 10 20 30 40 50 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 T7028 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7028.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/20260507223444/screen/T7028_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1857711468 Performing search ... 0% 10 20 30 40 50 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 T6S1302 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1794022722 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -106444418 Performing search ... 0% 10 20 30 40 50 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 T7032 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 669099344 Performing search ... 0% 10 20 30 40 50 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 T5S2178 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2178.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/20260507223444/screen/T5S2178_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1455036351 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -2052508506 Performing search ... 0% 10 20 30 40 50 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 T1135 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1135.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/20260507223444/screen/T1135_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1278448124 Performing search ... 0% 10 20 30 40 50 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 TN6778 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6778.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/20260507223444/screen/TN6778_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -479146144 Performing search ... 0% 10 20 30 40 50 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 T4S1637 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 324611457 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 1122431056 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 1927676114 Performing search ... 0% 10 20 30 40 50 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 TN6740 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1567984288 Performing search ... 0% 10 20 30 40 50 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 T2967 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2967.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/20260507223444/screen/T2967_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -789465072 Performing search ... 0% 10 20 30 40 50 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 T1123 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1953602928 Performing search ... 0% 10 20 30 40 50 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 T1703 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1006224832 Performing search ... 0% 10 20 30 40 50 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 T1521 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1521.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/20260507223444/screen/T1521_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 445077039 Performing search ... 0% 10 20 30 40 50 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 T3399 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3399.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/20260507223444/screen/T3399_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1235323450 Performing search ... 0% 10 20 30 40 50 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 T5S1598 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1507235296 Performing search ... 0% 10 20 30 40 50 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 T2899 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 841337711 Performing search ... 0% 10 20 30 40 50 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 T5S0788 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1653763848 Performing search ... 0% 10 20 30 40 50 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 T4S0692 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0692.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/20260507223444/screen/T4S0692_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1819905291 Performing search ... 0% 10 20 30 40 50 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 TN2435 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -202436548 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 573034512 Performing search ... 0% 10 20 30 40 50 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 T3149 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3149.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/20260507223444/screen/T3149_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1331939881 Performing search ... 0% 10 20 30 40 50 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 T5S1649 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1649.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/20260507223444/screen/T5S1649_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -700909087 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -1571212056 Performing search ... 0% 10 20 30 40 50 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 TN1984 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -775028784 Performing search ... 0% 10 20 30 40 50 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 TN1891 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1855544866 Performing search ... 0% 10 20 30 40 50 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 TN2010 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2010.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/20260507223444/screen/TN2010_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1644714792 Performing search ... 0% 10 20 30 40 50 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 T5691 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -857400463 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -70085378 Performing search ... 0% 10 20 30 40 50 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 T5S1262 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 706878016 Performing search ... 0% 10 20 30 40 50 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 T3S1541 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1541.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/20260507223444/screen/T3S1541_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1899137961 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -346687766 Performing search ... 0% 10 20 30 40 50 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 T3682 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -2068746847 Performing search ... 0% 10 20 30 40 50 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 TJS0851 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 316879514 Performing search ... 0% 10 20 30 40 50 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 T4S0145 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1916670448 Performing search ... 0% 10 20 30 40 50 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 T2787 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -799210330 Performing search ... 0% 10 20 30 40 50 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 T4S0295 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1933035862 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -333227648 Performing search ... 0% 10 20 30 40 50 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 T3880 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1386810140 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -2038040962 Performing search ... 0% 10 20 30 40 50 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 T3S0804 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1252185982 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -475207588 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 338760559 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 1130536404 Performing search ... 0% 10 20 30 40 50 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 T3824 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -1577917136 Performing search ... 0% 10 20 30 40 50 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 TN5031 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1764599853 Performing search ... 0% 10 20 30 40 50 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 TN1154 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1154.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/20260507223444/screen/TN1154_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -194978608 Performing search ... 0% 10 20 30 40 50 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 T3S1457 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1360469596 Performing search ... 0% 10 20 30 40 50 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 T4115 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -2145673943 Performing search ... 0% 10 20 30 40 50 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 T0062 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0062.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/20260507223444/screen/T0062_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 964215180 Performing search ... 0% 10 20 30 40 50 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 T5710 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 73652092 Performing search ... 0% 10 20 30 40 50 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 T3816 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3816.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/20260507223444/screen/T3816_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 887770671 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -1851677192 Performing search ... 0% 10 20 30 40 50 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 T5690 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5690.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/20260507223444/screen/T5690_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -305061309 Performing search ... 0% 10 20 30 40 50 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 T3846 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -2035909230 Performing search ... 0% 10 20 30 40 50 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 T4S0797 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0797.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/20260507223444/screen/T4S0797_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1245531572 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: -465542989 Performing search ... 0% 10 20 30 40 50 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 T5061 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: 1089982642 Performing search ... 0% 10 20 30 40 50 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 TN2247 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2247.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/20260507223444/screen/TN2247_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1865519528 Performing search ... 0% 10 20 30 40 50 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 T1660 ../program/vina --receptor ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/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/20260507223444/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: -816027720 Performing search ... 0% 10 20 30 40 50 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/20260507223444/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/20260507223444/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: 792944762 Performing search ... 0% 10 20 30 40 50 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.