
C:\Users\zhaoboya>set BABEL_DATADIR=C:\Program Files (x86)\MGLTools-1.5.7\OpenBabel-2.3.2\data

C:\Users\zhaoboya>set path=C:\Program Files (x86)\MGLTools-1.5.7\OpenBabel-2.3.2;C:\Program Files\PerkinElmerInformatics\ChemOffice2022\ChemScript\Lib;C:\Program Files\Parallels\Parallels Tools\Applications;C:\WINDOWS\system32;C:\WINDOWS;C:\WINDOWS\System32\Wbem;C:\WINDOWS\System32\WindowsPowerShell\v1.0\;C:\WINDOWS\System32\OpenSSH\;C:\Program Files (x86)\MGLTools-1.5.7;C:\OpenBabel-2.4.1;C:\Users\zhaoboya\AppData\Local\Microsoft\WindowsApps

C:\Users\zhaoboya>"C:\Program Files (x86)\MGLTools-1.5.7\python.exe" "C:\Program Files (x86)\MGLTools-1.5.7\Lib\site-packages\AutoDockTools\bin\runAdt.py"
Run ADT from  C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools
MSMSLIB 1.4.4 started on Local PC
Copyright M.F. Sanner (March 2000)
Compilation flags
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization 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)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 991547072
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -6.3      0.000      0.000
   2         -6.1     13.810     16.174
   3         -6.1     26.891     28.057
   4         -6.1     27.454     28.660
   5         -6.0     27.748     29.741
   6         -6.0     33.803     36.219
   7         -5.9     24.560     26.144
   8         -5.9     34.064     36.559
   9         -5.9     33.480     34.958
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization 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)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 1835942524
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -5.2      0.000      0.000
   2         -5.0     36.156     40.168
   3         -4.9     21.490     23.706
   4         -4.8     38.207     43.396
   5         -4.6     16.405     20.999
   6         -4.6      2.543      3.944
   7         -4.4     29.821     35.163
   8         -4.3     29.354     36.259
   9         -4.2     17.249     22.346
Writing output ... done.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
swig/python detected a memory leak of type 'BHtree *', no destructor found.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization 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)
Detected 4 CPUs
Reading input ... done.
Setting up the scoring function ... done.
Analyzing the binding site ... done.
Using random seed: 1032569536
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -8.0      0.000      0.000
   2         -7.8      2.179      3.210
   3         -7.6      3.226      7.796
   4         -7.6      3.070      5.281
   5         -7.6      2.100      4.765
   6         -7.1      2.764      4.802
   7         -6.9      2.970      5.745
   8         -6.9      3.699      6.469
   9         -6.8      3.015      5.872
Writing output ... done.
