<br><br><div class="gmail_quote">On Thu, Dec 2, 2010 at 12:20 PM, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov">pafonine@lbl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
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Hi,<br>
<br>
step 1:<br>
Run<br>
phenix.metal_coordination model.pdb<br>
this will create a file defining the protein-metal restraints.<br>
<br>
step 2: <br>
Look at this file and make sure the defined restraints match your
expectations.<br></div></blockquote><div><br></div><div>Take particular note of the angles. �You may wish to delete them for the first few rounds of refinement.�</div><div><br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
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<br>
step 3:<br>
Use this file in phenix.refine runs.<br><font color="#888888">
<br>
Pavel.</font><div><div></div><div class="h5"><br>
<br>
<br>
On 12/2/10 12:07 PM, r n wrote:
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<div>Hi<br>
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<div>I would like to do distance
restrain refinement for metal
coordination.</div>
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<div>How can I do metal - protein
�strict distance restrain
refinement in phenix?�</div>
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<div>Thanks</div>
<div>ram</div>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Nigel W. Moriarty<br>Building 64R0246B, Physical Biosciences Division<br>Lawrence Berkeley National Laboratory<br>Berkeley, CA 94720-8235<br>Phone : 510-486-5709� �� Email : NWMoriarty@LBL.gov<br>
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