<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Miguel,<div><span class="Apple-tab-span" style="white-space:pre"> </span>Thanks for the corrections! I just fired that one off without testing it. I thought there might be an error or two. I'm glad you find it useful after fixing it.</div><div><br></div><div>--Eric<br><div><br><div>Begin forwarded message:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" color="#000000" style="font: 12.0px Helvetica; color: #000000"><b>From: </b></font><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Miguel Ortiz Lombardía <<a href="mailto:miguel.ortiz-lombardia@afmb.univ-mrs.fr">miguel.ortiz-lombardia@afmb.univ-mrs.fr</a>></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" color="#000000" style="font: 12.0px Helvetica; color: #000000"><b>Date: </b></font><font face="Helvetica" size="3" style="font: 12.0px Helvetica">July 31, 2010 1:39:33 AM PDT</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" color="#000000" style="font: 12.0px Helvetica; color: #000000"><b>To: </b></font><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Eric Pettersen <<a href="mailto:pett@cgl.ucsf.edu">pett@cgl.ucsf.edu</a>></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" color="#000000" style="font: 12.0px Helvetica; color: #000000"><b>Subject: </b></font><font face="Helvetica" size="3" style="font: 12.0px Helvetica"><b>Re: [Chimera-users] Visualizing inertia axes as arrows</b></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; min-height: 14px; "><br></div> </div><div>Hi Eric,<br><br>Thanks for this useful script!<br><br>I think I found two errors though:<br><blockquote type="cite"><br></blockquote><blockquote type="cite">from chimera.selection import currentAtoms, numpyArrayFromAtoms<br></blockquote><br>should be:<br><br>from chimera.selection import currentAtoms<br>from chimera import numpyArrayFromAtoms<br><br>and:<br><br><blockquote type="cite">for val, vec in zip(vals, vecs):<br></blockquote><blockquote type="cite">bildString += ".arrow %g %g %g %g %g %g .1 .2 .9\n" % (<br></blockquote><blockquote type="cite">centroid[0], centroid[1], centroid[2],<br></blockquote><blockquote type="cite">centroid[0] + val[0] * vec[0],<br></blockquote><blockquote type="cite">centroid[1] + val[1] * vec[1],<br></blockquote><blockquote type="cite">centroid[2] + val[2] * vec[2])<br></blockquote><br>has to be:<br><br>for val, vec in zip(vals, vecs):<br> bildString += ".arrow %g %g %g %g %g %g .5 1. .9\n" % (centroid[0],<br>centroid[1], centroid[2], centroid[0] + val * scale * vec[0],<br>centroid[1] + val * scale * vec[1], centroid[2] + val * scale * vec[2])<br><br>(you can ignore the scale thing, that's simply a 50/max(vals) correction<br>so the longest axis is 50 A)<br><br>Best,<br><br><br>-- <br>Miguel<br><br>Architecture et Fonction des Macromolécules Biologiques (UMR6098)<br>CNRS, Universités d'Aix-Marseille I & II<br>Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France<br>Tel: +33(0) 491 82 55 93<br>Fax: +33(0) 491 26 67 20<br>e-mail: <a href="mailto:miguel.ortiz-lombardia@afmb.univ-mrs.fr">miguel.ortiz-lombardia@afmb.univ-mrs.fr</a><br><br><br>-- <br>This message has been scanned for viruses and<br>dangerous content by MailScanner, and is<br>believed to be clean.<br><br></div></blockquote></div><br></div></body></html>