
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: 62879664
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         -7.6      0.000      0.000
   2         -7.4      2.141      3.882
   3         -7.4     37.768     40.572
   4         -7.3     26.212     28.408
   5         -7.2      2.239      5.133
   6         -7.2      2.204      4.163
   7         -7.1     26.314     28.879
   8         -7.1     40.999     43.401
   9         -7.1     47.219     50.384
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.
#################################################################
# 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: 1100053552
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         -4.8     30.971     33.055
   3         -4.7     31.366     32.750
   4         -4.7     41.272     42.976
   5         -4.5     37.168     39.808
   6         -4.4      4.270      7.730
   7         -4.4     44.413     45.969
   8         -4.3      1.512      2.547
   9         -4.3     15.675     18.715
Writing output ... done.
