Thanks Nat I see the Find Alternate Origin Symmetry Mate option GUI. Where would I find a symmetry file for that? Brennan ________________________________________ From: [email protected] [[email protected]] On Behalf Of Nathaniel Echols [[email protected]] Sent: Tuesday, January 15, 2013 2:59 PM To: PHENIX user mailing list Subject: Re: [phenixbb] Heavy atoms outside of molecule On Tue, Jan 15, 2013 at 12:49 PM, Brennan Bonnet wrote:

Is there an option in Phenix that will fix the heavy atom positions so that they are at their equivalent positions within the molecule?

I hope I'm not misinterpreting the question, but I think this might do what you want (in the current nightly builds): phenix.sort_hetatms model.pdb (Also in the GUI under "Model tools", but you'll need to enable alpha-test features in the preferences to see it.) -Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb