phenix.pdbtools --geometry-regularization<div><br><div>goes in this direction, but our "force fields" really are too primitive for use without experimental data. Also, we don'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"><<a href="mailto:ramme29@yahoo.com">ramme29@yahoo.com</a>></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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