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<p class="MsoNormal"><span style="font-size:11.0pt">Hi Pat,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Coot has a tool to shift the residue numbers by a positive or negative increment. See Edit�Renumber Residues.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Best Regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Jack <o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">phenixbb-bounces@phenix-online.org <phenixbb-bounces@phenix-online.org> on behalf of Patrick Loll <pjloll@gmail.com><br>
<b>Date: </b>Sunday, October 15, 2023 at 1:22 PM<br>
<b>To: </b>PHENIX user mailing list <phenixbb@phenix-online.org><br>
<b>Subject: </b>[phenixbb] Renumbering while retaining refinement info<o:p></o:p></span></p>
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<p class="MsoNormal" style="line-height:12.0pt;background:#FFC7CE"><b><span style="color:#9C0006">WARNING:</span></b><span style="color:black"> This message has originated from an External Source. This may be a phishing expedition that can result in unauthorized
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<p class="MsoNormal"><span style="font-size:11.0pt">Hello all, <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt">I've finished refining a handful of related structures, but now I need to renumber the residues to reflect the fact that I�m working with a truncated construct (like a dope I didn�t do this at the outset).
However, when I run PDB Tools, it does not write the refinement information into the output CIF. <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt">Is there a way to get around this, other than re-running the final cycle of refinement with the renumbered coordinates (or entering the refinement info by hand? This would be easy in the PDB format, but not
so much in mmCIF). <o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt">Cheers,<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt">Pat<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt">__________________________________<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">Patrick J. Loll, PhD (he, him, his)<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">Professor of Biochemistry & Molecular Biology<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">Drexel University College of Medicine<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">Room 10-102 New College Building<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">245 N. 15th St.<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">Philadelphia, PA 19102-1192 USA<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt">(267) 359-2653<o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:9.0pt"><a href="mailto:pjl28@drexel.edu">pjl28@drexel.edu</a><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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