***Start*** ***Start*** Calculate DB08683 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08683.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08683_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1958142302 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02473 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02473.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02473_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 612124672 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07362 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07362.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07362_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2079644172 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13185 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13185.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13185_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2065490064 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15490 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB15490.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB15490_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1015433916 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02741 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02741.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02741_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -776102208 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03082 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03082.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB03082_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 691302916 Performing search ... 0% 10 20 30 40 50 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 DB08495 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08495.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08495_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1426544951 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02323 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02323.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02323_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -667184830 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08025 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08025.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08025_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1067137250 Performing search ... 0% 10 20 30 40 50 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 DB08358 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08358.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08358_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1801468545 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07604 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07604.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 15 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07604_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 17358004 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02723 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02723.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02723_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -292543252 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08349 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08349.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08349_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1652339438 Performing search ... 0% 10 20 30 40 50 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 DB04792 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04792.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04792_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1593107492 Performing search ... 0% 10 20 30 40 50 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 DB06925 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06925.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06925_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1967272144 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13676 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13676.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13676_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -499399250 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04803 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04803.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04803_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 968849592 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07833 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07833.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07833_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -973238468 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06976 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06976.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06976_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2023366432 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02258 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02258.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02258_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1289268805 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03571 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03571.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB03571_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 178616472 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01705 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01705.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01705_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1646504233 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14035 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14035.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB14035_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1914111806 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08150 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08150.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08150_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -446845808 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07213 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07213.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07213_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 287132078 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07800 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07800.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07800_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1755465784 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03957 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03957.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB03957_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1804079604 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04791 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04791.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1067213269 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07247 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07247.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07247_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 400565362 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08607 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08607.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08607_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2011864708 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03104 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03104.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB03104_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -814941676 Performing search ... 0% 10 20 30 40 50 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 DB14038 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14038.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB14038_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -817852136 Performing search ... 0% 10 20 30 40 50 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 DB13745 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13745.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13745_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -83170026 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06916 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06916.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06916_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1385315808 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07605 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07605.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07605_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1449480907 Performing search ... 0% 10 20 30 40 50 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 DB13552 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13552.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13552_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -714919128 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02398 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02398.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02398_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 19959510 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07261 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07261.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07261_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 754271004 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08036 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08036.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08036_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2072449906 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01977 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01977.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01977_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1338831603 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07241 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07241.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07241_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -604896576 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07861 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07861.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07861_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1746852475 Performing search ... 0% 10 20 30 40 50 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 DB06896 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06896.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06896_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1079480037 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02616 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02616.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02616_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -344336678 Performing search ... 0% 10 20 30 40 50 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 DB07296 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07296.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07296_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1123161604 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02194 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02194.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02194_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1704432758 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07410 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07410.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07410_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -235468512 Performing search ... 0% 10 20 30 40 50 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 DB08406 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08406.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08406_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1966234747 Performing search ... 0% 10 20 30 40 50 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 DB06852 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06852.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06852_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -861097525 Performing search ... 0% 10 20 30 40 50 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 DB04289 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04289.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04289_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -265015564 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07514 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07514.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07514_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1346006729 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04011 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04011.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04011_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1481746632 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02551 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02551.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02551_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 281180452 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08221 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08221.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08221_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1605138852 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07189 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07189.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07189_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -42092367 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08006 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08006.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08006_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2135149088 Performing search ... 0% 10 20 30 40 50 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 DB07994 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07994.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07994_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1401259707 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02449 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02449.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02449_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 67630735 Performing search ... 0% 10 20 30 40 50 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 DB07360 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07360.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07360_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 804298344 Performing search ... 0% 10 20 30 40 50 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 DB13766 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13766.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13766_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1871474540 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07789 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07789.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07789_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1135418504 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03159 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03159.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB03159_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -400224960 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11424 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB11424.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB11424_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 333795903 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08338 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08338.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08338_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1169891592 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03476 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03476.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB03476_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 297164984 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02705 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02705.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02705_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1174514304 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08010 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08010.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08010_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1908911865 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04204 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04204.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04204_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 859017676 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13791 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13791.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1233740067 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07875 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07875.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07875_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 235440275 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07643 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07643.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07643_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1706586516 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04030 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04030.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04030_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1538314426 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07612 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07612.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07612_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -555357688 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04722 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04722.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04722_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 911966520 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07787 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07787.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07787_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1180510261 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14070 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14070.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB14070_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1020546870 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07642 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07642.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07642_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -333355610 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02354 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02354.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02354_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1134486928 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01879 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01879.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01879_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1548676706 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01988 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01988.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01988_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 650820535 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06888 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06888.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06888_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2119244846 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02269 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02269.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02269_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2111997832 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13941 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13941.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB13941_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1488204222 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04322 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04322.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04322_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1013233002 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08131 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08131.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08131_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1812783872 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02366 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02366.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02366_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 389031505 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04146 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04146.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB04146_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1856530327 Performing search ... 0% 10 20 30 40 50 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 DB08512 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08512.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08512_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -969347294 Performing search ... 0% 10 20 30 40 50 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 DB01725 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01725.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01725_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 498029096 Performing search ... 0% 10 20 30 40 50 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 DB07076 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07076.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07076_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1232227026 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02009 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02009.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB02009_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1594915280 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01806 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01806.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01806_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -734029602 Performing search ... 0% 10 20 30 40 50 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 DB09199 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB09199.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB09199_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 6369892 Performing search ... 0% 10 20 30 40 50 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 DB07307 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07307.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07307_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 740578589 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08351 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08351.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB08351_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1474979832 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06997 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06997.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB06997_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -308178704 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14729 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14729.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB14729_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2091719648 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01990 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01990.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB01990_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1356675287 Performing search ... 0% 10 20 30 40 50 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 DB07025 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07025.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423131359/screen/DB07025_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -622013546 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done.