ADL: analysis of docking file ADT 1.4.6 shell error message

Babak Afrough B.Afrough03 at westminster.ac.uk
Tue Oct 23 09:22:53 PDT 2007


Dear Autodock users,

After successful completion of grid files and docking files for the tutorial ind.pdbqt and hsg1.pdbqt, I recieved the following error message below when trying to analyse the docking file on the ADT 1.4.6 shell

Does anyone know how I can overcome this problem?

Thanks

Babak 


C:\cygwin\usr\local\bin>set MGLPYTHONPATH=C:\Program Files\MGLTools 1.4.6

C:\cygwin\usr\local\bin>"C:\Python24\python.exe" "C:\Program Files\MGLTools 1.4.
6\MGLToolsPckgs\AutoDockTools\bin\runAdt.py" -i
Run AutoDockTools from C:\Program Files\MGLTools 1.4.6\MGLToolsPckgs\AutoDockToo
ls
MSMSLIB 1.4.4 started on Local PC
Copyright M.F. Sanner (March 2000)
Compilation flags
AutoDockTools Interactive Shell
>>> ERROR *********************************************
Traceback (most recent call last):
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\ViewerFramework\VF.py", line 7
14, in tryto
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\autoanalyzeComma
nds.py", line 2667, in doit
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\Docking.py", lin
e 74, in readDlg
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\Docking.py", lin
e 355, in __init__
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\Docking.py", lin
e 436, in _buildInputLig
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\Docking.py", lin
e 414, in process_flex_res_lines
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\pdbParser.py", line 561
, in parse
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\pdbParser.py", line 346
, in parse_PDB_atoms
  File "c:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\pdbParser.py", line 164
7, in parse_PDB_ATOM_record
ValueError: invalid literal for float(): /bin/aut




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