***Start*** ***Start*** Calculate DB07691 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07691.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07691_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 932698662 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07970 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07970.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07970_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1322812028 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02112 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02112.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB02112_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 248335392 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07698 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07698.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07698_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1830417266 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07450 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07450.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07450_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1743420134 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08400 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08400.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08400_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -990593135 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07993 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07993.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07993_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 572549569 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02354 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02354.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 1358495224 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07528 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07528.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07528_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1367493832 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02929 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02929.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB02929_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 194197548 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04154 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04154.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04154_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -754791950 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01876 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01876.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB01876_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 31888592 Performing search ... 0% 10 20 30 40 50 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 DB04759 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04759.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04759_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1594315402 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08221 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08221.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -1133118416 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13814 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13814.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB13814_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1213082504 Performing search ... 0% 10 20 30 40 50 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 DB02744 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02744.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB02744_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1048608585 Performing search ... 0% 10 20 30 40 50 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 DB07809 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07809.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07809_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1010990093 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07027 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07027.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07027_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1721534538 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09003 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB09003.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB09003_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -155441900 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03351 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03351.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03351_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1423056661 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08386 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08386.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08386_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2085942912 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07642 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07642.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -1294866728 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03571 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03571.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 2048228736 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07145 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07145.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07145_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -681362802 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13936 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13936.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB13936_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 892773400 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08073 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08073.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08073_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1678018402 Performing search ... 0% 10 20 30 40 50 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 DB07252 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07252.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07252_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -271427584 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02360 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02360.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB02360_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1426639536 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07253 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07253.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07253_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1803259402 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08384 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08384.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08384_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -240055828 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03916 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03916.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03916_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1327531328 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02217 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02217.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB02217_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1403497063 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02705 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02705.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 158253399 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07940 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07940.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07940_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1720736384 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08454 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08454.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08454_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1017588995 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07143 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07143.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07143_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -237441400 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01545 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01545.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB01545_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 555124688 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07643 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07643.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 1341848196 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04032 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04032.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04032_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1386244136 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08512 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08512.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -1548422546 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08406 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08406.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 918867699 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08407 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08407.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08407_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1706329056 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07212 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07212.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07212_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1015174016 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06853 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06853.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB06853_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -230632879 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03336 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03336.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03336_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1344298745 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07404 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07404.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07404_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2144922152 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07204 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07204.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07204_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -576568284 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07549 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07549.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07549_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1520333107 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07801 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07801.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07801_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 898511976 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08532 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08532.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08532_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -130690440 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07270 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07270.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07270_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1235021495 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07756 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07756.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07756_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2099277014 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07189 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07189.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -529587991 Performing search ... 0% 10 20 30 40 50 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 DB04760 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04760.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04760_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1047391370 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04289 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04289.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -1777265154 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04727 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04727.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04727_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -216310560 Performing search ... 0% 10 20 30 40 50 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 DB13552 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13552.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 2143712868 Performing search ... 0% 10 20 30 40 50 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 DB04591 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04591.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04591_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -584461463 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07396 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07396.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07396_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1529806912 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03213 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03213.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03213_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 811278916 Performing search ... 0% 10 20 30 40 50 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 DB07256 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07256.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07256_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1918343879 Performing search ... 0% 10 20 30 40 50 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 DB03678 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03678.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03678_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -358101267 Performing search ... 0% 10 20 30 40 50 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 DB08560 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08560.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08560_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 431501070 Performing search ... 0% 10 20 30 40 50 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 DB01705 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01705.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 1996123148 Performing search ... 0% 10 20 30 40 50 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 DB08460 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08460.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08460_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1512156127 Performing search ... 0% 10 20 30 40 50 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 DB07519 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07519.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07519_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 227216690 Performing search ... 0% 10 20 30 40 50 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 DB08450 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08450.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08450_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1789658032 Performing search ... 0% 10 20 30 40 50 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 DB07977 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07977.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07977_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -945783710 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01831 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01831.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB01831_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 624687200 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08154 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08154.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08154_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1270284770 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07005 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07005.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07005_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1456388843 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08749 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08749.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08749_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 117016467 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07181 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07181.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07181_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1836812090 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07422 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07422.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07422_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1047916084 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04006 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04006.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04006_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -66155034 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04008 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04008.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04008_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1020197672 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07975 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07975.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07975_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 539356328 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03672 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03672.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03672_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2110595812 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02551 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02551.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -628464358 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08772 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08772.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08772_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 934017088 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07351 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07351.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07351_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1796275324 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02259 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02259.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB02259_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2116153751 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07244 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07244.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07244_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -594403902 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08066 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08066.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08066_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1972967749 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03957 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03957.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: 142367508 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08495 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08495.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -1790945259 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03311 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03311.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03311_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 550254878 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08738 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08738.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB08738_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1361114443 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07595 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07595.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07595_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 213095496 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04434 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04434.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04434_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -744556704 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04301 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04301.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB04301_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 37068301 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13788 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13788.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB13788_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1675020962 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07360 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07360.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -913050670 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07163 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07163.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07163_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -84197411 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03791 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03791.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 698895512 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07991 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07991.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07991_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1540494657 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07268 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07268.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07268_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1959674616 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07563 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07563.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB07563_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1176576995 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08006 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08006.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/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: -383239072 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03737 ../program/vina --receptor ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03737.pdbqt --center_x 39.361 --center_y 19.223 --center_z 3.268 --size_x 14 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/sethboxofgames45.5@gmail.com/bd-screen/20260511050530/screen/DB03737_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 396934623 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done.