<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi JD,<div><span class="Apple-tab-span" style="white-space:pre"> </span>I added an 'altLocs' attribute to Residue that returns the set of altLocs, if any. It will be in tonight's build. The code to generate the set of altLocs is not long, namely:</div><div><br></div><div><span class="Apple-tab-span" style="white-space:pre"> </span>set([a.altLoc for a in r.residues if a.altLoc.isalnum()])</div><div><br></div><div>I added it to the Residue class with the 'property' Python built-in function, i.e.:</div><div><br></div><div>Residue.altLocs = property(lambda r: set([a.altLoc for a in r.residues if a.altLoc.isalnum()]))</div><div><br></div><div><span class="Apple-tab-span" style="white-space:pre"> </span>So you could do that yourself with other properties you would like Residues (etc.) to have.</div><div><br></div><div>--Eric<br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 16px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><div style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> <span class="Apple-converted-space"> </span></span>Eric Pettersen</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> <span class="Apple-converted-space"> </span></span>UCSF Computer Graphics Lab</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> </span><a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a></font></p><br class="Apple-interchange-newline"></div></span> </div><br><div><div>On Sep 8, 2009, at 10:35 AM, Jean Didier Pie Marechal wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div><p>Hi again,</p><p>Would it be a great amount of extra work that the <strong>residue </strong>attributes count with one that returns whether a residue has one or more rotamer? That could return whether 0/1 (no multiple rotamer/multiple rotamers) or directly the number of rotamers present in the pdb.</p><p>That would eased some of the scripting we do. </p><div> <br class="webkit-block-placeholder"></div><p>Best,</p><p>JD</p><div> <br class="webkit-block-placeholder"></div><p><br><br>Dr. Jean-Didier Maréchal <br>Lecturer <br>Computational Biotechnological Chemistry @ Transmet <br>Unitat de Química Física <br>Departament de Química <br>Universitat Autònoma de Barcelona <br>Edifici C.n. <br>08193 Cerdanyola (Barcelona) <br>Tel: +34.935814936 <br>e-mail: <a href="mailto:JeanDidier.Marechal@uab.es">JeanDidier.Marechal@uab.es</a><br><br></p></div> _______________________________________________<br>Chimera-dev mailing list<br><a href="mailto:Chimera-dev@cgl.ucsf.edu">Chimera-dev@cgl.ucsf.edu</a><br>http://www.cgl.ucsf.edu/mailman/listinfo/chimera-dev<br></blockquote></div><br></div></body></html>