PAfonine at lbl.gov
Sun Feb 28 10:19:38 PST 2010
which will create elbow.edits file containing restraints definitions for
Mg - check them and edit if necessary to match your expectations.
Then, next time you run phenix.refine, just give this elbow.edits file
phenix.refine model.pdb data.mtz other_parameters elbow.edits
I presume it can all be done from PHENIX GUI as well.
On 2/28/10 10:01 AM, Maia Cherney wrote:
> I have a ligand (ADP) has a coordinated Mg2+ ion. The distance between
> Mg and each of the 6 ligands should be around 2.1 A. Does the program
> have the proper restraints for this distance (Mg2+-to-O) or I should
> manually make these restraints?
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb