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&#39;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">&lt;<a href="mailto:yuri.pompeu@ufl.edu">yuri.pompeu@ufl.edu</a>&gt;</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 &quot;phenix.metal_cordination input.pdb&quot;<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>
______________________________<u></u>_________________<br>
phenixbb mailing list<br>
<a href="mailto:phenixbb@phenix-online.org" target="_blank">phenixbb@phenix-online.org</a><br>
<a href="http://phenix-online.org/mailman/listinfo/phenixbb" target="_blank">http://phenix-online.org/<u></u>mailman/listinfo/phenixbb</a><br>
</font></span></blockquote></div><br></div>