[Dock-fans] Is there a way to separate the mol2 files in poses.mol2

Jonathan Gough jonathan.d.gough at gmail.com
Thu Jul 14 07:47:20 PDT 2016


Hi,

After having done a docking expt and enrichment expt using the
combineScoresandPoses.py script you get a very large mol2 file that
wonderfully has all the poses together. I was wondering, Is there a way
within the other wonderful scripts you have put together to extract each of
the mol2 poses from the combined poses.mol2 file? Or can someone point me
in the right direction towards some code in the scripts to look at in terms
of trying to figure out how to write something like that for myself?

thanks,
Jonathan
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