<br><br><div class="gmail_quote">On Thu, Dec 2, 2010 at 12:20 PM, Pavel Afonine <span dir="ltr">&lt;<a href="mailto:pafonine@lbl.gov">pafonine@lbl.gov</a>&gt;</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>
                                    </div>
                                    <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>

Fax�� : 510-486-5909� � �� Web� : <a href="http://CCI.LBL.gov">CCI.LBL.gov</a><br>