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vina_log.txt
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vina_log.txt
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#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\2_tridecanone_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -648762312
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.4 0.000 0.000
2 -4.3 1.496 2.218
3 -4.2 2.173 3.222
4 -3.9 3.640 5.306
5 -3.7 2.179 5.119
6 -3.5 2.494 3.819
7 -3.5 21.087 25.192
8 -3.4 5.577 7.237
9 -3.4 21.900 24.257
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\alpha_Pinene_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1582243324
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -5.0 0.000 0.000
2 -4.9 1.148 2.831
3 -4.9 8.084 9.804
4 -4.8 0.941 3.388
5 -4.7 8.343 10.423
6 -4.6 1.358 2.930
7 -4.5 18.781 20.557
8 -4.5 1.553 3.502
9 -4.5 30.455 32.595
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Borneol_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1503156688
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.9 0.000 0.000
2 -4.9 1.272 2.824
3 -4.6 1.902 3.094
4 -4.6 31.032 32.459
5 -4.5 31.265 32.722
6 -4.2 31.891 33.463
7 -4.2 15.343 16.681
8 -4.1 1.599 2.935
9 -4.1 22.620 24.162
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\calcitriol_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -417939520
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -6.2 0.000 0.000
2 -6.2 1.626 1.842
3 -6.0 44.615 49.349
4 -5.9 16.409 21.034
5 -5.9 24.530 26.926
6 -5.9 23.112 25.673
7 -5.9 43.270 47.937
8 -5.8 40.212 42.674
9 -5.8 22.758 24.770
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Camphene_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1524735180
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.7 0.000 0.000
2 -4.7 1.089 2.536
3 -4.6 30.214 31.789
4 -4.5 1.330 2.943
5 -4.5 0.960 3.249
6 -4.5 30.276 31.845
7 -4.4 1.661 3.635
8 -4.3 24.135 25.641
9 -4.3 31.501 32.974
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\cineole_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 546150368
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -5.5 0.000 0.000
2 -5.3 0.764 3.213
3 -5.0 1.362 2.798
4 -4.9 1.441 2.917
5 -4.7 8.866 11.453
6 -4.6 1.326 3.238
7 -4.6 30.377 31.805
8 -4.5 30.957 32.441
9 -4.5 20.840 21.750
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Eugenol_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1339222796
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -5.3 0.000 0.000
2 -5.1 4.984 6.760
3 -4.9 7.496 8.792
4 -4.8 3.855 6.082
5 -4.7 22.994 24.742
6 -4.6 34.095 36.411
7 -4.6 8.777 10.986
8 -4.6 11.038 11.788
9 -4.6 3.828 5.086
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\iso-decyl-methyl-ketone_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 221213888
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.0 0.000 0.000
2 -3.9 30.647 31.817
3 -3.8 24.187 26.548
4 -3.7 30.822 32.174
5 -3.5 17.316 19.606
6 -3.4 24.096 26.765
7 -3.4 17.657 20.177
8 -3.3 23.999 25.241
9 -3.3 26.437 29.189
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\limonene_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 556485456
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.8 0.000 0.000
2 -4.7 23.345 24.542
3 -4.7 20.918 22.959
4 -4.6 8.428 10.772
5 -4.6 2.483 4.217
6 -4.5 8.805 11.113
7 -4.5 16.570 18.022
8 -4.5 23.279 24.341
9 -4.4 23.793 24.994
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Menthol_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -2142832688
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -5.1 0.000 0.000
2 -5.1 1.706 3.387
3 -4.7 2.188 3.826
4 -4.4 31.132 32.731
5 -4.4 2.332 3.577
6 -4.3 30.485 32.059
7 -4.3 20.877 22.743
8 -4.3 13.671 15.180
9 -4.2 11.050 12.837
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Nonyl-acetate_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1199375264
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.3 0.000 0.000
2 -4.1 2.729 5.885
3 -3.9 12.051 13.962
4 -3.9 22.565 23.960
5 -3.9 10.022 12.826
6 -3.8 22.253 23.805
7 -3.7 3.050 6.129
8 -3.7 31.768 32.530
9 -3.6 21.532 24.695
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Raloxifene_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 1538914064
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -6.7 0.000 0.000
2 -6.7 11.795 14.897
3 -6.6 2.385 2.958
4 -6.5 23.101 26.599
5 -6.5 2.664 3.460
6 -6.4 25.474 28.803
7 -6.4 22.772 25.139
8 -6.3 22.624 25.000
9 -6.3 25.541 29.759
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\tetradecyl-methacrylate_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -141696020
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.4 0.000 0.000
2 -4.4 28.836 31.564
3 -4.2 34.085 36.639
4 -4.1 9.363 11.649
5 -4.1 5.591 9.052
6 -4.0 4.972 8.001
7 -4.0 1.712 3.770
8 -3.9 23.620 26.347
9 -3.9 9.989 12.550
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\ligs\Undecyl-acetate_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 148374560
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -3.5 0.000 0.000
2 -3.5 21.130 22.516
3 -3.5 31.176 33.114
4 -3.5 18.455 19.722
5 -3.5 25.803 27.280
6 -3.5 19.659 20.707
7 -3.4 11.673 13.255
8 -3.3 3.236 5.938
9 -3.2 25.040 26.594
Writing output ... done.
Press any key to continue . . .
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\1\Odanacatib_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1477079524
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -7.0 0.000 0.000
2 -6.9 23.398 26.309
3 -6.4 36.191 38.418
4 -6.4 1.332 2.125
5 -6.4 36.297 38.739
6 -6.3 23.356 27.189
7 -6.3 23.978 26.690
8 -6.2 22.002 27.360
9 -5.9 37.215 39.365
Writing output ... done.
Press any key to continue . . .
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\lig1\2_decanene_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1973747072
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -3.9 0.000 0.000
2 -3.8 1.190 4.484
3 -3.4 9.666 11.977
4 -3.3 1.565 4.549
5 -3.2 9.827 12.367
6 -3.2 11.535 13.879
7 -3.1 15.892 17.519
8 -3.1 2.716 4.701
9 -3.0 30.512 31.229
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\lig1\2_nonanene_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 963668792
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -3.8 0.000 0.000
2 -3.7 23.187 26.966
3 -3.7 30.857 32.868
4 -3.5 16.056 17.925
5 -3.5 13.831 15.797
6 -3.5 22.244 24.860
7 -3.4 30.344 32.227
8 -3.4 33.642 35.164
9 -3.4 28.426 29.482
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\lig1\2_undecanone_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -1393400688
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -4.0 0.000 0.000
2 -3.9 2.467 4.048
3 -3.8 10.693 13.875
4 -3.5 3.124 4.918
5 -3.4 10.785 13.224
6 -3.4 2.770 7.266
7 -3.3 23.256 25.315
8 -3.3 22.631 24.402
9 -3.3 19.713 20.951
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\lig1\alendronate_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 557192192
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -6.2 0.000 0.000
2 -5.9 2.827 4.695
3 -5.8 4.008 5.050
4 -5.8 3.542 5.263
5 -5.7 3.353 5.068
6 -5.6 2.520 4.289
7 -5.5 3.670 4.587
8 -5.5 3.981 5.269
9 -5.5 2.172 2.888
Writing output ... done.
#################################################################
# If you used AutoDock Vina in your work, please cite: #
# #
# O. Trott, A. J. Olson, #
# AutoDock Vina: improving the speed and accuracy of docking #
# with a new scoring function, efficient optimization and #
# multithreading, Journal of Computational Chemistry 31 (2010) #
# 455-461 #
# #
# DOI 10.1002/jcc.21334 #
# #
# Please see http://vina.scripps.edu for more information. #
#################################################################
WARNING: The search space volume > 27000 Angstrom^3 (See FAQ)
Output will be E:\Docking\osteoporosis\mevalonate_pathway\vina\\lig1\lig_out.pdbqt
Detected 8 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: -884067432
Performing search ...
0% 10 20 30 40 50 60 70 80 90 100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.
mode | affinity | dist from best mode
| (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
1 -6.0 0.000 0.000
2 -5.4 2.041 3.628
3 -5.0 6.723 7.989
4 -4.7 6.835 7.953
5 -4.7 30.279 32.007
6 -4.6 15.040 16.237
7 -4.6 20.194 21.689
8 -4.6 30.790 32.391
9 -4.5 20.940 22.159
Writing output ... done.
Press any key to continue . .