15 Jan
2013
15 Jan
'13
8:59 p.m.
On Tue, Jan 15, 2013 at 12:49 PM, Brennan Bonnet
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