phenix.pdbtools --geometry-regularization<div><br><div>goes in this direction, but our &quot;force fields&quot; really are too primitive for use without experimental data. Also, we don&#39;t support atom selections to keep parts of the model fixed. To get access to such atom selections, you could use phenix.refine with a combination of options to turn off the use of experimental data, but the same caveat applies. -- Hope others have suggestions for better tools for your purpose.<br>
<br></div><div>Ralf</div><div><br><div class="gmail_quote">On Fri, Sep 2, 2011 at 12:34 AM, r n <span dir="ltr">&lt;<a href="mailto:ramme29@yahoo.com">ramme29@yahoo.com</a>&gt;</span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div><div style="color:#000;background-color:#fff;font-family:arial, helvetica, sans-serif;font-size:10pt"><div>Dear all,</div><div><br></div><div>Is it possible to do force field energy minimization for protein/peptide using Phenix?</div>
<div><br></div><div>I am interested in doing energy minimization for different side chain rotamers.</div><div><br></div><div>Thanks  </div><div>ram</div></div></div><br>_______________________________________________<br>
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