ADL: summarize_results4.py

Shultz, Jack JShultz at nas.edu
Tue Jan 15 15:25:47 PST 2008


Holly,

I do things a little differently since I run my simulations on a
distributed project so I've ported the python scripts to binaries. I
have to check if this will work when I get home. But this is the command
line I am using currently
summarize_results4 -d . -r receptor_file.pdbqt -o summary.txt 

You may need to run it with
pythonsh summarize_results4 -d . -r receptor_file.pdbqt -o summary.txt

If you don't have pythonsh in your $PATH then that won't work, you may
need to fix some of your configuration.

Jack

-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu]
On Behalf Of Holly Freedman
Sent: Tuesday, January 15, 2008 5:26 PM
To: autodock at scripps.edu
Subject: ADL: summarize_results4.py

Dear Jack Shultz and  Arneh Babakhani,
Thank you for your suggestions.  I'm not sure how to set my AD and MGL
environmental variables.  I 
have run ADT on the Mac but no other AD python script.  How would I run
with pythonsh?  I tried this 
but I wasn't sure how to do it.
Thanks again,
Holly Freedman




--
Department of Physics, University of Alberta
Edmonton CANADA

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