Re: [phenixbb] metal coordination restraints

On Fri, Nov 4, 2011 at 9:44 AM, Pavel Afonine 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