***Start*** ***Start*** Calculate DB00471 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00471.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00471_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1744432896 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00947 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00947.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 29 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00947_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1539585508 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06401 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06401.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06401_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1667636776 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00878 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00878.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00878_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -795481706 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00549 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00549.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00549_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 951018576 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12867 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12867.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB12867_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 954096810 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09238 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09238.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09238_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1719366428 Performing search ... 0% 10 20 30 40 50 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 DB04868 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04868.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04868_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 862905816 Performing search ... 0% 10 20 30 40 50 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 DB06603 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06603.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06603_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1722689826 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06210 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06210.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06210_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -84271376 Performing search ... 0% 10 20 30 40 50 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 DB09128 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09128.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09128_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1571046184 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04890 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04890.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04890_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -322036200 Performing search ... 0% 10 20 30 40 50 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 DB12978 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12978.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB12978_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1967458625 Performing search ... 0% 10 20 30 40 50 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 DB01288 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01288.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01288_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -356058636 Performing search ... 0% 10 20 30 40 50 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 DB08901 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08901.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB08901_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2018372960 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11637 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11637.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11637_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -451005416 Performing search ... 0% 10 20 30 40 50 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 DB00384 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00384.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 15 --size_y 15 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00384_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1234751900 Performing search ... 0% 10 20 30 40 50 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 DB01167 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01167.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01167_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2032010197 Performing search ... 0% 10 20 30 40 50 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 DB05154 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05154.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB05154_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1227610712 Performing search ... 0% 10 20 30 40 50 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 DB04953 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04953.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04953_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1476207960 Performing search ... 0% 10 20 30 40 50 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 DB01012 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01012.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01012_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 104803898 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13766 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13766.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB13766_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 966284361 Performing search ... 0% 10 20 30 40 50 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 DB01046 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01046.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01046_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 800438804 Performing search ... 0% 10 20 30 40 50 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 DB01122 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01122.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01122_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -807770160 Performing search ... 0% 10 20 30 40 50 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 DB12887 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12887.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB12887_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1766562828 Performing search ... 0% 10 20 30 40 50 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 DB08954 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08954.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB08954_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 283421033 Performing search ... 0% 10 20 30 40 50 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 DB01184 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01184.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01184_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1114498224 Performing search ... 0% 10 20 30 40 50 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 DB00502 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00502.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00502_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -795393031 Performing search ... 0% 10 20 30 40 50 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 DB09374 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09374.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09374_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 952084401 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00805 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00805.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00805_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1799121539 Performing search ... 0% 10 20 30 40 50 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 DB01102 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01102.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01102_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1678276480 Performing search ... 0% 10 20 30 40 50 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 DB08893 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08893.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 24 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB08893_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -820142313 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14001 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14001.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 24 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB14001_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1605531456 Performing search ... 0% 10 20 30 40 50 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 DB09090 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09090.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09090_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -918328312 Performing search ... 0% 10 20 30 40 50 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 DB05039 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05039.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB05039_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 31092509 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12554 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12554.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB12554_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 919665734 Performing search ... 0% 10 20 30 40 50 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 DB06594 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06594.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 15 --size_y 15 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06594_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -631018252 Performing search ... 0% 10 20 30 40 50 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 DB01219 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01219.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01219_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 166282321 Performing search ... 0% 10 20 30 40 50 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 DB00982 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00982.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00982_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 970344832 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00246 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00246.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00246_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1784550142 Performing search ... 0% 10 20 30 40 50 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 DB00938 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00938.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 24 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00938_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1689449528 Performing search ... 0% 10 20 30 40 50 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 DB09082 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09082.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09082_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1797649947 Performing search ... 0% 10 20 30 40 50 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 DB11652 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11652.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11652_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -696064456 Performing search ... 0% 10 20 30 40 50 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 DB01231 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01231.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01231_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 185767794 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01113 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01113.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 18 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01113_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1023649898 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01157 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01157.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01157_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 122324018 Performing search ... 0% 10 20 30 40 50 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 DB09300 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09300.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 18 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09300_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -786537471 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00799 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00799.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00799_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 981289651 Performing search ... 0% 10 20 30 40 50 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 DB00623 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00623.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00623_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1798892492 Performing search ... 0% 10 20 30 40 50 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 DB00456 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00456.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 18 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00456_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1593941920 Performing search ... 0% 10 20 30 40 50 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 DB08875 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08875.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB08875_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -472757676 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06077 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06077.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06077_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -102161608 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01238 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01238.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01238_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 738981762 Performing search ... 0% 10 20 30 40 50 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 DB01100 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01100.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01100_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -143041024 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00511 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00511.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 30 --size_y 29 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00511_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 765675180 Performing search ... 0% 10 20 30 40 50 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 DB13520 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13520.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB13520_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 163920836 Performing search ... 0% 10 20 30 40 50 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 DB00222 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00222.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00222_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1761767053 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05351 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05351.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB05351_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 153481925 Performing search ... 0% 10 20 30 40 50 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 DB00450 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00450.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00450_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1751333646 Performing search ... 0% 10 20 30 40 50 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 DB13931 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13931.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB13931_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -928885690 Performing search ... 0% 10 20 30 40 50 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 DB00706 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00706.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00706_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1732426089 Performing search ... 0% 10 20 30 40 50 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 DB12332 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12332.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB12332_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 79178674 Performing search ... 0% 10 20 30 40 50 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 DB00342 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00342.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00342_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1650012267 Performing search ... 0% 10 20 30 40 50 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 DB00734 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00734.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00734_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -922065491 Performing search ... 0% 10 20 30 40 50 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 DB06249 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06249.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06249_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 679185123 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00213 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00213.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00213_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1933430735 Performing search ... 0% 10 20 30 40 50 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 DB11672 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11672.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11672_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1085494832 Performing search ... 0% 10 20 30 40 50 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 DB04209 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04209.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04209_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1367801639 Performing search ... 0% 10 20 30 40 50 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 DB04841 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04841.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04841_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1231256800 Performing search ... 0% 10 20 30 40 50 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 DB00158 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00158.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 23 --size_y 23 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00158_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1248261202 Performing search ... 0% 10 20 30 40 50 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 DB01261 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01261.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01261_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 444252955 Performing search ... 0% 10 20 30 40 50 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 DB00775 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00775.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00775_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1482595508 Performing search ... 0% 10 20 30 40 50 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 DB01129 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01129.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01129_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -516361808 Performing search ... 0% 10 20 30 40 50 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 DB04794 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04794.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04794_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -404089836 Performing search ... 0% 10 20 30 40 50 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 DB00857 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00857.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00857_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 410070221 Performing search ... 0% 10 20 30 40 50 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 DB00738 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00738.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 23 --size_y 23 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00738_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1827270608 Performing search ... 0% 10 20 30 40 50 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 DB00303 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00303.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00303_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -665424368 Performing search ... 0% 10 20 30 40 50 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 DB00861 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00861.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 15 --size_y 15 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00861_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1777070464 Performing search ... 0% 10 20 30 40 50 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 DB00239 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00239.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 18 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00239_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -817757912 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00137 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00137.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 30 --size_y 29 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00137_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 33587567 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04946 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04946.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04946_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 46959387 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11660 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11660.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11660_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 938869456 Performing search ... 0% 10 20 30 40 50 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 DB04812 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04812.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04812_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1884736207 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11591 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11591.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 23 --size_y 23 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11591_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1606192484 Performing search ... 0% 10 20 30 40 50 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 DB00490 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00490.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 22 --size_y 22 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00490_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1769646280 Performing search ... 0% 10 20 30 40 50 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 DB06654 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06654.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB06654_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1680716867 Performing search ... 0% 10 20 30 40 50 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 DB08981 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08981.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB08981_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -849632152 Performing search ... 0% 10 20 30 40 50 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 DB00448 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00448.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 19 --size_y 19 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00448_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -35447418 Performing search ... 0% 10 20 30 40 50 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 DB11190 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11190.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11190_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 805780180 Performing search ... 0% 10 20 30 40 50 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 DB09195 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09195.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09195_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -32994098 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04861 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04861.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04861_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 811621094 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00619 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00619.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00619_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -935176632 Performing search ... 0% 10 20 30 40 50 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 DB14569 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14569.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB14569_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -9425795 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03310 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB03310.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB03310_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1702101168 Performing search ... 0% 10 20 30 40 50 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 DB04820 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04820.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB04820_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -16306688 Performing search ... 0% 10 20 30 40 50 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 DB09343 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09343.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 14 --size_y 14 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB09343_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 811424364 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11581 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11581.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB11581_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1601967454 Performing search ... 0% 10 20 30 40 50 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 DB00944 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00944.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 25 --size_y 24 --size_z 25 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00944_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 953447808 Performing search ... 0% 10 20 30 40 50 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 DB01014 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01014.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 21 --size_y 21 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB01014_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -776336568 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00637 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260504124148/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00637.pdbqt --center_x -22.261 --center_y 13.302 --center_z 32.289 --size_x 20 --size_y 20 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260504124148/screen/DB00637_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -670739214 Performing search ... 0% 10 20 30 40 50 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.