[phenixbb] Metal restraints at special position

Ralf Grosse-Kunstleve rwgrosse-kunstleve at lbl.gov
Mon Nov 28 16:00:52 PST 2011

Hi Yuriy,
Could you send me (not the list) the pieces from your pdb file with the
residues around the Mg2+ (or the entire pdb file if you find that easier)
and your edits file? -- I don't need the data.

On Mon, Nov 28, 2011 at 11:17 AM, Yuri <yuri.pompeu at ufl.edu> wrote:

> I have a Mg2+ coordinated to 4 waters and 2 side chains.
> Some of the waters are at special postions. I generated the restraints
> file using "phenix.metal_cordination input.pdb"
> When I run refine with my .edits restraints file it crashes due to the
> special position.
> How do I handle this?
> Best,
> --
> Yuri Pompeu
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