***Start*** ***Start*** Calculate DB00254 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00254.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00254_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1805718192 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00197 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00197.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00197_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2111346800 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12020 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12020.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 381049216 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11699 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11699.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11699_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1420458222 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11793 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11793.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 243246464 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14086 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14086.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB14086_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1915331086 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13155 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13155.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB13155_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -715928608 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00737 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00737.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 189239292 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01624 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01624.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01624_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2022830281 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06213 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06213.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB06213_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 862629616 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00384 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00384.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 10 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00384_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1964653184 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01025 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01025.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01025_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -687544944 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00363 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00363.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00363_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 167356804 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00808 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00808.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00808_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 992931776 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09151 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09151.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB09151_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 158045542 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00266 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00266.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00266_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1004570088 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00606 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00606.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00606_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -809477460 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04953 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04953.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB04953_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 53808156 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04812 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04812.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB04812_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1751052524 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00735 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00735.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00735_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -884377506 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11967 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11967.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11967_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -8518860 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01395 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01395.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 828717896 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04575 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04575.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB04575_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1666869340 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11942 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11942.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11942_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1760615240 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15465 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15465.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 1633899620 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09076 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09076.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB09076_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 769253436 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08828 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08828.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB08828_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -101850496 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -1.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00487 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00487.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00487_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1886532877 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12523 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12523.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1027420864 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01155 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01155.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01155_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 711758238 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01128 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01128.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01128_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1852407904 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00502 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00502.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00502_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -83887300 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00436 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00436.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00436_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1646920604 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00969 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00969.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00969_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1807995205 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00467 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00467.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00467_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -146555424 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01053 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01053.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01053_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 896854552 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00496 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00496.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1717586176 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01591 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01591.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01591_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -893274012 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00298 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00298.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00298_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 795641516 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01138 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01138.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1009956881 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12877 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12877.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 741832935 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01168 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01168.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01168_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1759427183 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08880 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08880.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB08880_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -108223635 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00978 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00978.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00978_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 742527244 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01609 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01609.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01609_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1880277040 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00447 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00447.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00447_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1860148268 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00537 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00537.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00537_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -162831000 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12612 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12612.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB12612_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1744341758 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01618 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01618.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01618_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1603460481 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00470 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00470.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00470_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -761086688 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09074 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09074.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 1017723488 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00643 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00643.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00643_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1332920263 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14196 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14196.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB14196_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -469652286 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00820 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00820.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00820_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1189860272 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00554 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00554.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00554_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2065697478 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05016 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05016.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB05016_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -565565537 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01392 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01392.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01392_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1093950909 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09319 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09319.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1537309352 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06803 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06803.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB06803_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1442375624 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11644 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11644.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11644_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -591666694 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11799 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11799.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11799_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1225050420 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11689 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11689.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11689_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1521498289 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01250 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01250.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01250_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -684288804 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00524 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00524.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00524_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1620726064 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01091 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01091.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1622485104 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00358 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00358.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00358_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 875196038 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01147 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01147.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01147_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1730905913 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00360 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00360.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 10 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00360_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 800300960 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13532 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13532.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB13532_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -860153732 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09195 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09195.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: 7327040 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14914 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14914.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB14914_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -947603625 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01048 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01048.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01048_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -109450858 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01320 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01320.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01320_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 749653346 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00757 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00757.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00757_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1835483946 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06742 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06742.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB06742_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -39569910 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11632 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11632.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11632_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1628361048 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11636 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11636.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11636_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1769784532 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11115 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11115.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB11115_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -919056083 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00315 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00315.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00315_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 723736171 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00601 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00601.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00601_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1599608940 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14075 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14075.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB14075_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -201832685 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12301 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12301.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB12301_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1562491250 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00875 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00875.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00875_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -980720140 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06274 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06274.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB06274_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 779420896 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00972 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00972.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00972_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1016887120 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13952 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13952.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB13952_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1739213081 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01137 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01137.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01137_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -900372720 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04115 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04115.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB04115_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 887183542 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01097 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01097.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01097_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1742117312 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12245 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12245.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB12245_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1710488863 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00805 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00805.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB00805_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -55103234 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01247 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01247.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01247_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1621239618 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08950 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08950.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1822981902 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09080 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09080.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB09080_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -108914704 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01253 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01253.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01253_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1676408008 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13337 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13337.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB13337_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -946399732 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08942 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08942.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB08942_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1568129855 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01260 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01260.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/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: -1067248347 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12332 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12332.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB12332_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -195537734 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01261 ../program/vina --receptor ../dock_file/Guest/bd-screen/20260524104641/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01261.pdbqt --center_x 32.349 --center_y -9.979 --center_z 33.898 --size_x 15 --size_y 13 --size_z 12 --num_modes 1 --exhaustiveness 8 --out ../dock_file/Guest/bd-screen/20260524104641/screen/DB01261_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1034543789 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done.