***Start*** ***Start*** Calculate DB09280 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09280.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB09280_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1402476511 Performing search ... 0% 10 20 30 40 50 60 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 DB00872 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00872.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00872_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1752598802 Performing search ... 0% 10 20 30 40 50 60 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 DB15328 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15328.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB15328_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 826134492 Performing search ... 0% 10 20 30 40 50 60 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 DB01419 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01419.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01419_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1023923746 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12952 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12952.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB12952_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -260913704 Performing search ... 0% 10 20 30 40 50 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 DB09042 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09042.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB09042_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1362148422 Performing search ... 0% 10 20 30 40 50 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 DB11859 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11859.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11859_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1449395556 Performing search ... 0% 10 20 30 40 50 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 DB09195 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09195.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -1225721730 Performing search ... 0% 10 20 30 40 50 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 DB00959 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00959.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00959_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -405687584 Performing search ... 0% 10 20 30 40 50 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 DB12035 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12035.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB12035_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 408833840 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -3.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06210 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06210.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -518960280 Performing search ... 0% 10 20 30 40 50 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 DB09128 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09128.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 1116065683 Performing search ... 0% 10 20 30 40 50 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 DB14569 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14569.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 781478555 Performing search ... 0% 10 20 30 40 50 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 DB01261 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01261.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -1889948085 Performing search ... 0% 10 20 30 40 50 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 DB00547 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00547.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00547_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -262267204 Performing search ... 0% 10 20 30 40 50 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 DB00860 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00860.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00860_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1360817963 Performing search ... 0% 10 20 30 40 50 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 DB11730 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11730.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11730_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2119156886 Performing search ... 0% 10 20 30 40 50 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 DB06718 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06718.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06718_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -491929064 Performing search ... 0% 10 20 30 40 50 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 DB08905 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08905.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 15 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB08905_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 319386045 Performing search ... 0% 10 20 30 40 50 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 DB04841 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04841.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 1130701586 Performing search ... 0% 10 20 30 40 50 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 DB08896 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08896.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB08896_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1534732552 Performing search ... 0% 10 20 30 40 50 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 DB00990 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00990.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 15 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00990_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -709152861 Performing search ... 0% 10 20 30 40 50 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 DB01238 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01238.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 1027151707 Performing search ... 0% 10 20 30 40 50 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 DB01185 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01185.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 15 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01185_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -662517950 Performing search ... 0% 10 20 30 40 50 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 DB00563 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00563.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00563_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 150182864 Performing search ... 0% 10 20 30 40 50 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 DB01147 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01147.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01147_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1695632258 Performing search ... 0% 10 20 30 40 50 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 DB12001 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12001.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB12001_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -66081189 Performing search ... 0% 10 20 30 40 50 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 DB12867 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12867.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -1917866584 Performing search ... 0% 10 20 30 40 50 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 DB13954 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13954.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB13954_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1490025595 Performing search ... 0% 10 20 30 40 50 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 DB00805 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00805.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -1177681685 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04861 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04861.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -363590096 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11637 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11637.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 1268740588 Performing search ... 0% 10 20 30 40 50 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 DB06412 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06412.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06412_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1159290577 Performing search ... 0% 10 20 30 40 50 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 DB00197 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00197.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00197_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1972005904 Performing search ... 0% 10 20 30 40 50 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 DB08907 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08907.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB08907_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1499187255 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06016 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06016.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06016_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 135463925 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00620 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00620.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00620_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1763667503 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12015 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12015.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB12015_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -905858717 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09076 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09076.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB09076_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1796129024 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00734 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00734.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -370174600 Performing search ... 0% 10 20 30 40 50 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 DB05039 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05039.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 639844992 Performing search ... 0% 10 20 30 40 50 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 DB12371 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12371.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB12371_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1905411458 Performing search ... 0% 10 20 30 40 50 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 DB01117 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01117.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01117_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2127044249 Performing search ... 0% 10 20 30 40 50 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 DB00412 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00412.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00412_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -503887448 Performing search ... 0% 10 20 30 40 50 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 DB00663 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00663.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00663_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1124347172 Performing search ... 0% 10 20 30 40 50 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 DB00757 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00757.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00757_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1941695976 Performing search ... 0% 10 20 30 40 50 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 DB11256 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11256.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11256_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -731031728 Performing search ... 0% 10 20 30 40 50 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 DB11827 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11827.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11827_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 12049116 Performing search ... 0% 10 20 30 40 50 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 DB06410 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06410.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06410_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1837312756 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00737 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00737.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00737_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -17291860 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00210 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00210.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00210_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -68604685 Performing search ... 0% 10 20 30 40 50 60 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 DB09124 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09124.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB09124_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 941764640 Performing search ... 0% 10 20 30 40 50 60 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 DB00324 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00324.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00324_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1733829279 Performing search ... 0% 10 20 30 40 50 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 DB00222 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00222.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -919321760 Performing search ... 0% 10 20 30 40 50 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 DB12978 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12978.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 1643399119 Performing search ... 0% 10 20 30 40 50 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 DB01267 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01267.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01267_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1832465664 Performing search ... 0% 10 20 30 40 50 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 DB01166 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01166.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01166_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1576272074 Performing search ... 0% 10 20 30 40 50 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 DB01184 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01184.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -1896833554 Performing search ... 0% 10 20 30 40 50 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 DB00635 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00635.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00635_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1074510915 Performing search ... 0% 10 20 30 40 50 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 DB01251 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01251.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01251_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 547631348 Performing search ... 0% 10 20 30 40 50 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 DB13931 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13931.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -2034728002 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00687 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00687.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00687_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1221058364 Performing search ... 0% 10 20 30 40 50 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 DB06684 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06684.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06684_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1332565056 Performing search ... 0% 10 20 30 40 50 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 DB01003 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01003.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB01003_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 303837958 Performing search ... 0% 10 20 30 40 50 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 DB00223 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00223.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00223_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1593708368 Performing search ... 0% 10 20 30 40 50 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 DB00436 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00436.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00436_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1076797682 Performing search ... 0% 10 20 30 40 50 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 DB06077 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06077.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 549964904 Performing search ... 0% 10 20 30 40 50 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 DB00496 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00496.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00496_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1311062330 Performing search ... 0% 10 20 30 40 50 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 DB00796 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00796.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00796_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1939257409 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00398 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00398.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00398_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 967486302 Performing search ... 0% 10 20 30 40 50 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 DB06603 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06603.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 1791234094 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14914 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14914.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB14914_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -874643308 Performing search ... 0% 10 20 30 40 50 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 DB00502 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00502.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 744782728 Performing search ... 0% 10 20 30 40 50 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 DB12941 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12941.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB12941_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1564393958 Performing search ... 0% 10 20 30 40 50 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 DB00450 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00450.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 680080000 Performing search ... 0% 10 20 30 40 50 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 DB06654 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06654.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -1986707304 Performing search ... 0% 10 20 30 40 50 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 DB00158 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00158.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 445896699 Performing search ... 0% 10 20 30 40 50 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 DB06710 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06710.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 15 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06710_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1283458080 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00246 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00246.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -472126758 Performing search ... 0% 10 20 30 40 50 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 DB04918 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04918.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB04918_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 344733132 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08881 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08881.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB08881_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -690617166 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00301 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00301.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00301_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 946800296 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11760 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11760.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11760_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1718118658 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00873 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00873.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00873_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -94520132 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13657 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13657.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB13657_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -986633444 Performing search ... 0% 10 20 30 40 50 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 DB11732 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11732.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11732_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -169761168 Performing search ... 0% 10 20 30 40 50 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 DB11742 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11742.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11742_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 792263562 Performing search ... 0% 10 20 30 40 50 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 DB06335 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06335.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 15 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB06335_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1093605868 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13520 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13520.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: -277187152 Performing search ... 0% 10 20 30 40 50 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 DB01219 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01219.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 543384209 Performing search ... 0% 10 20 30 40 50 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 DB08828 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08828.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB08828_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1356575994 Performing search ... 0% 10 20 30 40 50 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 DB00656 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00656.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00656_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1313851276 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08893 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08893.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 22 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 311152336 Performing search ... 0% 10 20 30 40 50 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 DB00838 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00838.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00838_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1543305494 Performing search ... 0% 10 20 30 40 50 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 DB00717 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00717.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 15 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00717_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 79396334 Performing search ... 0% 10 20 30 40 50 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 DB04794 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04794.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/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: 891209484 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11951 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11951.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB11951_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -808536448 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00485 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00485.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 16 --size_y 11 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00485_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 822941122 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00341 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00341.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB00341_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1645375931 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05812 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525192226/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05812.pdbqt --center_x 14.693 --center_y -28.589 --center_z -6.440 --size_x 17 --size_y 16 --size_z 11 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525192226/screen/DB05812_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -94496298 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done.