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
Unfortunately, I don't think that's quite what I need. The obabel filter
command will look at the given pdb and then output the entire pdb if it matches
the given SMARTS query, right? What I would like to do is only get the atoms
that match the SMARTS query.
For example, let's say I have a
