
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.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization 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: 1993860008
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -7.3      0.000      0.000
   2         -6.7      1.762      6.833
   3         -6.6      3.179      5.098
   4         -6.2     21.567     24.913
   5         -6.0     17.984     19.812
   6         -6.0     19.142     23.328
   7         -5.8     19.796     21.811
   8         -5.8     18.304     19.355
   9         -5.7      7.235     10.288
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.
#################################################################
# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization 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: 842034020
Performing search ...
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************
done.
Refining results ... done.

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1         -5.4      0.000      0.000
   2         -5.4     20.712     23.084
   3         -5.4     18.419     20.602
   4         -5.4      3.608      8.823
   5         -5.3     20.574     22.175
   6         -5.3     20.464     22.049
   7         -5.2     18.967     20.564
   8         -5.2     21.314     23.617
   9         -5.0      4.398      8.279
Writing output ... done.
