<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>On Jan 3, 2011, at 11:21 AM, Elaine Meng wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi Steve,<br>Chimera doesn't include anything to do this, sorry. I believe you would just need a script to reverse the signs of all x, or all y, or all z atomic coordinates depending on the desired plane of reflection.<br><br>On Dec 30, 2010, at 2:15 PM, Stephen B.H. Kent wrote:<br><br><blockquote type="cite">How can I invert the configuration of a pdb file to create the mirror image model <br></blockquote><blockquote type="cite">of the protein molecule?</blockquote></div></blockquote><br></div><div>Yes, you could write a Python script, or if you are just doing this once, type this into the IDLE interpreter (under General Controls):</div><div><br></div><div>m = chimera.openModels.list()[0]</div><div>for a in m.atoms:</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>crd = a.coord()</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>crd.x = 0 - crd.x</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>a.setCoord(crd)</div><div><br></div><div>The above assumes that the model you want to invert is the only one open, and inverts it in x (i.e. across the yz plane). Changing the script to invert in y or z is obviously trivial.</div><div><br></div><div>Hope this helps.</div><div><br></div><div>--Eric</div><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></body></html>