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PostPosted: Fri Nov 13, 2009 7:06 pm 
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Joined: Fri Nov 13, 2009 3:44 pm
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Hi,

I am a new AutoDocker. I completed the autodock and ADT tutorial and now going through the 'Using AD4 for virtual screening' tutorial. I am working on XP using cygwin and I have ADT installed (regular Windows installation). I skipped the setpath4.py script in the tutorial since I wasn't sure how to modify for none Scripps users. Now I am stuck on the ex02.csh exercise and getting an error:

ImportError: No module names MolKit

I already added MGLTools to the cygwin path (export=`path`/MGLTools.../Utilities24:.:${PATH}).

I also found this:
http://mgltools.scripps.edu/documentati ... mportError
The C:\Python25\Lib\sitecustomize.py was created as described, but when I try to run prepare_ligand.py in a Python shell (outside cygwin), I get an error that prepare_ligand is not defined. The link at the end of this faq on how to set the PATHPYTHON in Windows is broken, but I found this:

http://mgltools.scripps.edu/documentati ... mporterror

and followed the instruction to set PATHPYTHON, but the error is the same.

Can anybody please help me in figuring what is the MolKit module and how to install /configure it?


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