[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.)
-Nat
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