Hi Yuriy,<div>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.</div><div>Ralf<br>
<br><div class="gmail_quote">On Mon, Nov 28, 2011 at 11:17 AM, Yuri <span dir="ltr"><<a href="mailto:yuri.pompeu@ufl.edu">yuri.pompeu@ufl.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
I have a Mg2+ coordinated to 4 waters and 2 side chains.<br>
Some of the waters are at special postions. I generated the restraints file using "phenix.metal_cordination input.pdb"<br>
When I run refine with my .edits restraints file it crashes due to the special position.<br>
How do I handle this?<br>
Best,<span class="HOEnZb"><font color="#888888"><br>
<br>
-- <br>
Yuri Pompeu<br>
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