***Start*** ***Start*** Calculate DB02112 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02112.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02112_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1589241619 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08683 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08683.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08683_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -541489371 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13185 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13185.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB13185_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 224085432 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07362 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07362.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07362_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -885688848 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13676 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13676.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB13676_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 682236330 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08006 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08006.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08006_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2028460032 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08221 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08221.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08221_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1549922944 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03104 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03104.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03104_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -124898193 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07430 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07430.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07430_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -137799392 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08358 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08358.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08358_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1140996736 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07604 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07604.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 15 --size_y 15 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07604_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -363153794 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04791 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04791.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1147586464 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08338 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08338.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08338_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 189340635 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07360 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07360.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07360_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 963100078 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04877 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04877.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04877_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1772087920 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11424 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB11424.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB11424_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1952771755 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02473 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02473.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02473_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1101365544 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07397 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07397.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07397_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -286735736 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06976 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06976.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB06976_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1301662170 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13791 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13791.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB13791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1466202215 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03555 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03555.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03555_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 179413803 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06896 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06896.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB06896_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 994050334 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08495 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08495.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08495_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -983688930 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02323 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02323.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02323_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1304940754 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04030 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04030.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04030_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 141092544 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03373 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03373.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03373_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 963918666 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08150 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08150.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08150_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1872575202 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04322 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04322.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04322_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 865337340 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07181 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07181.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07181_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1808490914 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02354 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02354.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02354_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1507853304 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07970 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07970.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07970_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1219102996 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03591 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03591.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03591_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -527292480 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04764 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04764.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04764_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1129863288 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01771 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01771.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB01771_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1490383632 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13941 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13941.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB13941_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1256994186 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08450 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08450.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08450_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 360086856 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01745 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01745.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB01745_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1891330908 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03748 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03748.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03748_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -696618648 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08143 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08143.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08143_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1067861386 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01705 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01705.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB01705_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -582338332 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07296 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07296.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07296_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 220079143 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04146 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04146.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04146_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1010234004 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14729 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14729.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB14729_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1890322783 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08036 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08036.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08036_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -42347248 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01977 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01977.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB01977_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 715108101 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07241 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07241.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07241_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2073123591 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07861 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07861.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 16 --size_y 16 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07861_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1291138964 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07787 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07787.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07787_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1357731240 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06844 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06844.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB06844_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2110280262 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02616 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02616.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02616_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1262882516 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04011 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04011.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04011_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1223573209 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02705 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02705.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02705_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2105321513 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07514 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07514.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07514_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1294807224 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02551 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02551.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02551_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 813672098 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04289 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04289.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04289_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1651265094 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04792 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04792.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04792_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -111940804 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07320 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07320.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07320_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1447814115 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04452 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04452.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04452_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 808858408 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06856 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06856.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB06856_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1590770174 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03878 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03878.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03878_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 620253256 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02723 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02723.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02723_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1799716024 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04793 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04793.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04793_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -911554846 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07833 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07833.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07833_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1877978884 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03476 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03476.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03476_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 410603641 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07189 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07189.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07189_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1913172426 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02366 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02366.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02366_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1745032535 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06925 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06925.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB06925_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1018758231 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04204 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04204.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 24 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04204_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -191874548 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04125 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04125.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04125_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1597036256 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04803 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04803.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04803_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 302855000 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03957 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03957.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03957_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2038651030 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07789 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07789.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07789_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -598442464 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03159 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03159.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03159_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1747388090 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07247 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07247.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07247_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1749287656 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02741 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02741.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02741_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 535253706 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07612 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07612.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07612_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2070541440 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07800 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07800.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07800_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 342642688 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07642 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07642.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07642_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 321947050 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07643 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07643.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07643_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1140680288 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07307 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07307.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07307_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1975762544 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01988 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01988.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB01988_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1488208144 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02269 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02269.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02269_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -628601065 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13745 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB13745.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 17 --size_y 17 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB13745_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 107902100 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04008 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04008.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04008_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1704516664 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07076 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07076.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07076_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1067402968 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14045 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14045.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB14045_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2029676262 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02200 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02200.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 22 --size_y 22 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02200_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -482101022 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08031 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08031.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08031_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1911830704 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03571 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03571.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03571_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 696152318 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04673 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB04673.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB04673_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2043051788 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02398 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02398.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02398_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -409622107 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08512 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08512.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08512_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1125708666 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB03005 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB03005.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB03005_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1646189100 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01725 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB01725.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB01725_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1639014934 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06916 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB06916.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB06916_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -840681523 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02009 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02009.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 23 --size_y 23 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02009_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1448035738 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14068 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB14068.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 20 --size_y 20 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB14068_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -198566384 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08242 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB08242.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 18 --size_y 18 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB08242_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 894128128 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB07220 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB07220.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 21 --size_y 21 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB07220_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1696562352 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02194 ../program/vina --receptor ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/receptor.pdbqt --ligand ../lib/pdbqt/pdbqt7kb_filter/DB02194.pdbqt --center_x 37.005 --center_y 17.080 --center_z 2.950 --size_x 19 --size_y 19 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/DB02194_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -6757764 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done.