I think this will work great. Thanks for the suggestion.
-Original Message-
From: Maciek Wójcikowski mac...@wojcikowski.pl
Sent: 7/8/2013 12:06 PM
To: Brett Hannigan godot_gil...@yahoo.com
Cc: Brett T. Hannigan bret...@mail.med.upenn.edu;
openbabel-discuss@lists.sourceforge.net
query to look for my substructures. However, if the SMARTS query reports
that the substructure is present in the molecule, I'm not sure how to
identify the atoms in the pdb file which make up the match. Any ideas?
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Brett T. Hannigan
8011 Ardleigh St
