ADL: Python error when attempting to load confrmations

david.carter3 at mail.mcgill.ca david.carter3 at mail.mcgill.ca
Thu Mar 13 15:01:43 PDT 2008


Hi All,

I too am receiving an error message from the python shell that other 
users are reporting.   The error occurs after an attempt to load 
conformations from the log of a docking experiment that otherwise 
seemed to complete successfully.  In my case, I can open my docking 
log, but here there are some problems.  First, the log states that I 
can visualize the conformations by selecting 
Analyze>Conformations>Show, however I have no such choice for "show" 
under Analyze>Conformations.  I do see "Show histogram, but no choice 
for "show".

I can however view the conformations by selecting 
Analyze>Conformations>Play.  Any thoughts or tips on why this might be?

Secondly, I also receive an error from the python shell when I try to 
analyze the conformations by selecting Analyze>Conformations>Load 
option.  Instead of a Chooser appearing as stated in the AD4 tutorial, 
I see nothing execpt the python shell error indicated below:

>>> Exception in Tkinter callback
Traceback (most recent call last):
  File 
"/home/coulton/MGLTools-1.4.6/share/lib/python2.4/lib-tk/Tkinter.py", 
line 1345, in __call__
    return self.func(*args)
  File 
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/autoanalyzeCommands.py", line 4095, in 
guiCallback
    self.form = self.chooser.go(modal=0, blocking=0)
  File 
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/autoanalyzeCommands.py", line 2797, in 
go
    dockedStr= "Rank:                            "+rankStr+ \
TypeError: cannot concatenate 'str' and 'NoneType' objects

Anyone have any insight on how I might get beyond this error?  I am not 
terribly sophisticated when it comes to debugging errors of the sort.

Any help would be incredibly appreciated.

Thanks!

David


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