***Start*** ***Start*** Calculate DB11978 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11978.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB11978_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1743244224 Performing search ... 0% 10 20 30 40 50 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 DB01012 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01012.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01012_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1443027794 Performing search ... 0% 10 20 30 40 50 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 DB13520 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13520.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 214229535 Performing search ... 0% 10 20 30 40 50 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 DB04861 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04861.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 1057260996 Performing search ... 0% 10 20 30 40 50 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 DB00735 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00735.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00735_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1914069646 Performing search ... 0% 10 20 30 40 50 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 DB11699 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11699.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB11699_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -741166295 Performing search ... 0% 10 20 30 40 50 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 DB09280 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09280.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 85588274 Performing search ... 0% 10 20 30 40 50 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 DB11732 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11732.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -1573951852 Performing search ... 0% 10 20 30 40 50 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 DB01261 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01261.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -734670504 Performing search ... 0% 10 20 30 40 50 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 DB14914 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14914.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 109622080 Performing search ... 0% 10 20 30 40 50 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 DB14196 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14196.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB14196_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 931370366 Performing search ... 0% 10 20 30 40 50 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 DB00950 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00950.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00950_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -796930560 Performing search ... 0% 10 20 30 40 50 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 DB11181 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11181.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB11181_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -780389674 Performing search ... 0% 10 20 30 40 50 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 DB00839 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00839.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00839_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 47626240 Performing search ... 0% 10 20 30 40 50 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 DB08981 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08981.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB08981_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 871884624 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00163 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00163.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00163_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1785839466 Performing search ... 0% 10 20 30 40 50 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 DB01393 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01393.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01393_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 730792202 Performing search ... 0% 10 20 30 40 50 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 DB00738 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00738.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00738_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1576353930 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00216 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00216.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00216_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1787780538 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11591 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11591.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB11591_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1019603376 Performing search ... 0% 10 20 30 40 50 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 DB05039 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05039.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 632844930 Performing search ... 0% 10 20 30 40 50 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 DB01022 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01022.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01022_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1026657564 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06654 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06654.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 1496286064 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09038 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09038.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB09038_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1960621874 Performing search ... 0% 10 20 30 40 50 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 DB06152 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06152.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06152_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1097494802 Performing search ... 0% 10 20 30 40 50 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 DB14200 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14200.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB14200_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1147289166 Performing search ... 0% 10 20 30 40 50 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 DB05154 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05154.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB05154_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -325519324 Performing search ... 0% 10 20 30 40 50 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 DB11712 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11712.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB11712_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1189558636 Performing search ... 0% 10 20 30 40 50 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 DB01274 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01274.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01274_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 470460628 Performing search ... 0% 10 20 30 40 50 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 DB00424 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00424.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 10 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00424_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1344140199 Performing search ... 0% 10 20 30 40 50 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 DB04953 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04953.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB04953_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 295649734 Performing search ... 0% 10 20 30 40 50 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 DB09495 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09495.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB09495_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1133724602 Performing search ... 0% 10 20 30 40 50 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 DB00179 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00179.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00179_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1971800604 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09118 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09118.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB09118_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -434189142 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB08950 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08950.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB08950_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 390097152 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06626 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06626.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06626_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1444547172 Performing search ... 0% 10 20 30 40 50 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 DB12313 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12313.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB12313_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 214061488 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06814 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06814.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 10 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06814_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1084748820 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12954 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12954.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB12954_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -742360107 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB06774 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06774.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06774_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 88202944 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00857 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00857.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00857_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1623714371 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB09120 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09120.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB09120_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 19858403 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00750 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00750.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 10 --size_y 9 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00750_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -32388669 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04930 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04930.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB04930_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 793162624 Performing search ... 0% 10 20 30 40 50 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 DB00642 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00642.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00642_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1033928148 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB01610 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01610.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01610_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1469078532 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00676 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00676.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 10 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00676_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1154703680 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04825 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04825.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB04825_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -331655389 Performing search ... 0% 10 20 30 40 50 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 DB14191 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14191.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 10 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB14191_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1324479715 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14195 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14195.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB14195_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -368825665 Performing search ... 0% 10 20 30 40 50 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 DB01097 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01097.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01097_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1008007472 Performing search ... 0% 10 20 30 40 50 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 DB01238 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01238.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 2022685824 Performing search ... 0% 10 20 30 40 50 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 DB04209 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04209.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB04209_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -602502948 Performing search ... 0% 10 20 30 40 50 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 DB00471 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00471.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00471_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1555396456 Performing search ... 0% 10 20 30 40 50 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 DB08880 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08880.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB08880_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 901432392 Performing search ... 0% 10 20 30 40 50 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 DB12401 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12401.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB12401_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 22313764 Performing search ... 0% 10 20 30 40 50 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 DB00941 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00941.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00941_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1648490102 Performing search ... 0% 10 20 30 40 50 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 DB00450 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00450.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 1687374151 Performing search ... 0% 10 20 30 40 50 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 DB01166 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01166.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -944040155 Performing search ... 0% 10 20 30 40 50 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 DB08893 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08893.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -95975288 Performing search ... 0% 10 20 30 40 50 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 DB00598 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00598.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00598_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1899361773 Performing search ... 0% 10 20 30 40 50 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 DB08907 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08907.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -971033669 Performing search ... 0% 10 20 30 40 50 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 DB00984 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00984.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00984_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -186565014 Performing search ... 0% 10 20 30 40 50 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 DB14002 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14002.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB14002_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -191423641 Performing search ... 0% 10 20 30 40 50 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 DB09078 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09078.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB09078_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -183588913 Performing search ... 0% 10 20 30 40 50 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 DB12371 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12371.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 672013568 Performing search ... 0% 10 20 30 40 50 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 DB12377 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12377.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB12377_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -283246400 Performing search ... 0% 10 20 30 40 50 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 DB00525 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00525.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 10 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00525_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1965298424 Performing search ... 0% 10 20 30 40 50 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 DB01136 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01136.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01136_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 487476695 Performing search ... 0% 10 20 30 40 50 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 DB00473 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00473.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00473_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -346477488 Performing search ... 0% 10 20 30 40 50 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 DB00490 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00490.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00490_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 484069540 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01132 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01132.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01132_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1285966268 Performing search ... 0% 10 20 30 40 50 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 DB00414 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00414.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00414_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2132813120 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06207 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06207.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06207_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -521111168 Performing search ... 0% 10 20 30 40 50 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 DB06803 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06803.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06803_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1211876264 Performing search ... 0% 10 20 30 40 50 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 DB00821 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00821.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00821_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2038671360 Performing search ... 0% 10 20 30 40 50 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 DB06267 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06267.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB06267_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -620258988 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00276 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00276.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00276_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1901515701 Performing search ... 0% 10 20 30 40 50 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 DB08941 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08941.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB08941_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1554111598 Performing search ... 0% 10 20 30 40 50 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 DB01091 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01091.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01091_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 913750281 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00580 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00580.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00580_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -804436600 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00162 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00162.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00162_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 837882676 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB00417 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00417.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00417_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -845396548 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB00572 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00572.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00572_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1616205785 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB00656 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00656.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -1846937134 Performing search ... 0% 10 20 30 40 50 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 DB04841 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04841.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -197084672 Performing search ... 0% 10 20 30 40 50 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 DB00983 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00983.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB00983_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 651050123 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08896 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08896.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -1982769585 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00496 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00496.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 500175630 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01247 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01247.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01247_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -264698318 Performing search ... 0% 10 20 30 40 50 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. ***Start*** Calculate DB02546 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB02546.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB02546_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 558352970 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00737 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00737.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 1388933208 Performing search ... 0% 10 20 30 40 50 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 DB01171 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01171.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01171_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2069179185 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12783 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12783.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB12783_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1247380778 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01359 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01359.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01359_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 515163080 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09128 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09128.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: 1349511411 Performing search ... 0% 10 20 30 40 50 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 DB01616 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01616.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB01616_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2093538066 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00757 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00757.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -1259187413 Performing search ... 0% 10 20 30 40 50 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 DB12867 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12867.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/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: -431110528 Performing search ... 0% 10 20 30 40 50 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 DB04908 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260525204418/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04908.pdbqt --center_x 165.771 --center_y 119.798 --center_z 99.031 --size_x 15 --size_y 14 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260525204418/screen/DB04908_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 410771784 Performing search ... 0% 10 20 30 40 50 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.