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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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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 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: ... mportError
The C:\Python25\Lib\ was created as described, but when I try to run 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: ... 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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Translated by MaĆ«l Soucaze © 2009