[phenixbb] metal coordination restraints

Nathaniel Echols nechols at lbl.gov
Fri Nov 4 09:49:12 PDT 2011

On Fri, Nov 4, 2011 at 9:44 AM, Pavel Afonine <pafonine at lbl.gov> wrote:
> step 1: you run
> phenix.metal_coordination model.pdb
> it will create .edits file containing necessary restraints.

phenix.ready_set does this too.  If you're using the GUI and run
ready_set through the phenix.refine interface, it should automatically
incorporate the metal parameters.  (Although the way this is handled
ended up confusing nearly everyone, which I just about have fixed.)


More information about the phenixbb mailing list