***Start*** ***Start*** Calculate DB08827 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08827.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08827_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1573968248 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06210 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06210.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB06210_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 548330508 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01100 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01100.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01100_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1967201866 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08815 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08815.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08815_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1113816210 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04841 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04841.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -266002813 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00737 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00737.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: 568433620 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11614 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11614.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11614_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2087761004 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00246 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00246.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00246_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1260011622 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01419 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01419.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01419_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -433376384 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00693 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00693.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00693_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 402608289 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00568 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00568.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00568_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1222557808 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04908 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04908.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: 1276690524 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14627 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14627.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB14627_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1376143400 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00685 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00685.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00685_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1084830010 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01117 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01117.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01117_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1918168208 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09319 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09319.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09319_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1551267577 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01410 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01410.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01410_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 116529568 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09195 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09195.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09195_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 982221176 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01267 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01267.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01267_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1812219132 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15328 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15328.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB15328_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -26216224 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12020 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12020.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB12020_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1642711984 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11691 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11691.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11691_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1828946156 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13074 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13074.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB13074_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1910692372 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08896 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08896.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -1509635280 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12867 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12867.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -661772376 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04835 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04835.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB04835_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 985976014 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13931 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13931.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB13931_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 766807861 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11275 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11275.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11275_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1664042308 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11652 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11652.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11652_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1748729600 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00377 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00377.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00377_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -74031182 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08882 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08882.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08882_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1553645349 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15035 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15035.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB15035_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1505110682 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14568 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14568.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB14568_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1128685421 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09074 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09074.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09074_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 567099377 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08916 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08916.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08916_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2077851990 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00444 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00444.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00444_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1444399005 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00288 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00288.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00288_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1399000004 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00210 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00210.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00210_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1243703032 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11793 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11793.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11793_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1214037783 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01200 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01200.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01200_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1447645535 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08912 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08912.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08912_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1038025902 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13954 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13954.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB13954_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1589024704 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06410 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06410.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB06410_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1027527432 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01116 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01116.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01116_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -645300984 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05812 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05812.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB05812_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 182517649 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00673 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00673.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00673_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1813579965 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01091 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01091.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -842712480 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00450 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00450.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -17123410 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12952 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12952.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB12952_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1697762832 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08439 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08439.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08439_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -57754102 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12070 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12070.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB12070_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1250255860 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12457 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12457.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB12457_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1980594344 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06212 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06212.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB06212_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1116069684 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01232 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01232.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01232_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -279411128 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13766 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13766.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB13766_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1393951825 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12523 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12523.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB12523_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 398834839 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00496 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00496.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -1279661685 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01126 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01126.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01126_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -434067094 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08820 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08820.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08820_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2038047129 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01138 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01138.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01138_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2091065494 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04038 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04038.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB04038_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -558421789 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13874 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13874.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB13874_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 271568742 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11979 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11979.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11979_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -933152871 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01395 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01395.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01395_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1668366768 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00836 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00836.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00836_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -849522896 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00973 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00973.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00973_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 813825381 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08903 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08903.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08903_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1017909052 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09238 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09238.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09238_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1087380222 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14703 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14703.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB14703_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 152616714 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15465 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15465.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB15465_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1833843265 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00734 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00734.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00734_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 148688895 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12877 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12877.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB12877_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1791980204 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01501 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01501.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01501_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -846300975 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11943 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11943.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11943_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 932102710 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01153 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01153.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01153_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1720681354 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00475 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00475.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00475_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -886194912 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06786 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06786.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB06786_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 741481322 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00525 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00525.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: -138196083 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00398 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00398.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00398_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 686247776 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00872 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00872.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00872_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1952015190 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09048 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09048.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09048_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -291958060 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01076 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01076.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01076_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1388199346 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01215 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01215.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01215_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1451968548 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09219 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09219.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09219_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2024127174 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08950 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08950.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: 582360769 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00209 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00209.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00209_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2073744098 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11760 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11760.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11760_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -429295928 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00739 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00739.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB00739_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 394045856 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14646 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14646.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB14646_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2037380782 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01260 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01260.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01260_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -617600068 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13520 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13520.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/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: 207978599 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11262 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11262.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11262_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1852436219 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15566 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15566.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB15566_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1000282940 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01184 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01184.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01184_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1651332324 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11273 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11273.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB11273_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1661597420 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09020 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09020.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB09020_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -886697414 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04824 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04824.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 11 --size_y 11 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB04824_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 758898816 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01259 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01259.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB01259_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1583373991 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02300 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB02300.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB02300_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1723884416 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08822 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260526160052/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08822.pdbqt --center_x 166.530 --center_y 183.202 --center_z 167.676 --size_x 16 --size_y 16 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260526160052/screen/DB08822_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1734312808 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done.