CCL: Autodock4 error message parsing dlg output file
- From: "Gianluca Rossato"
<gianluca.rossato^gmail.com>
- Subject: CCL: Autodock4 error message parsing dlg output file
- Date: Tue, 15 Jul 2008 05:26:36 -0400
Sent to CCL by: "Gianluca Rossato" [gianluca.rossato|,|gmail.com]
Hi everyone,
I did a virtual screening using a list of small ligands using Autodock4, I
wrote some c shell scripts to do it automatically and I prepared all the
pdbqt files, grid and input files. The autodock4 script runs properly; Reading
the output files with a text editor they looks correct retrieving scoring and
energy values as usual.
When I try to analyze the docking output with ADT, in the python shell I
have this error message..
Could someone help me?
Thank you in advance
Gianluca
IDLE 1.2.1 ==== No Subprocess ====
>>> ERROR *********************************************
Traceback (most recent call last):
File "MGLToolsPckgs/ViewerFramework/VF.py", line 716, in tryto
result = apply( command, args, kw )
File
"MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/autoanalyzeCommands.py",
line 2818, in doit
d.readDlg(dlgFile)
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/Docking.py", line
74, in
readDlg
dlo = DockingLogObject(self, dlgFile)
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/Docking.py", line
337, in
__init__
parser.parse(filename)
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/DlgParser.py", line
106,
in parse
self.match(allLines)
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/DlgParser.py", line
219,
in match
apply(d['func'], (lines,), {})
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/DlgParser.py", line
679,
in getModelLines
self.makeModels(modelList)
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/DlgParser.py", line
775,
in makeModels
clist.append(self.makeModel(curMod))
File "MGLTools-1.5.1/MGLToolsPckgs/AutoDockTools/DlgParser.py", line
799,
in makeModel
d['run'] = int((ll)[3])
ValueError: invalid literal for int() with base 10:
'MGLTools-1.5.1/bin/NET/DockingRun_v01_080714/ZINC00013562_NET/ZINC00013562_NET_protein_v02.dpf'