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. Ralf On Mon, Nov 28, 2011 at 11:17 AM, Yuri 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 ______________________________**_________________ phenixbb mailing list [email protected] http://phenix-online.org/**mailman/listinfo/phenixbbhttp://phenix-online.org/mailman/listinfo/phenixbb