<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Julian,<div><span class="Apple-tab-span" style="white-space:pre"> </span>It's pretty easy. This command will do it:</div><div><br></div><div>setattr r type <i>new-residue-name</i> <i>residue-spec</i></div><div><br></div><div>e.g.:</div><div><br></div><div>setattr r type CYX :121.a</div><div><br></div><div>--Eric</div><br> Eric Pettersen<br> UCSF Computer Graphics Lab<br> <a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a><div><br><div><div>On Jun 18, 2014, at 1:26 PM, Julian Tirado-Rives <julian.tirado-rives@yale.edu> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><br>Dear Chimera team,<br><br> thanks for all the work you put in into a very, very, useful<br>program. I just have a question that I am hoping is just my inability<br>to find the proper command ... is there a way to rename a residue<br>before writing a PDB?<br><br> I often use chimera as pre-preparation step before getting into<br>some particular calculation packages, which often require different<br>names for residues to indicate tautomers, protonation, etc. and it<br>would be nice to do it from chimera rather than take the PDB's through<br>a rather annoying set of scripts, sed's, or even text editors!<br><br> Thanks in advance,<br><br> - Julian -<br>-- <br><br> -----------------------------------------------------------------<br> | Julian Tirado-Rives | |<br> | Department of Chemistry | Phone: (203)432-3356 |<br> | Yale University | Fax: (203)432-6144 |<br> | P. O. Box 208107 | email: Julian.Tirado-Rives@yale.edu |<br> | New Haven, CT 06520-8107 | |<br> -----------------------------------------------------------------<br><br>_______________________________________________<br>Chimera-users mailing list<br>Chimera-users@cgl.ucsf.edu<br>http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users<br></blockquote></div><br></div><br><div apple-content-edited="true"><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; font-size: 16px; "><br><br class="Apple-interchange-newline"></span>
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