<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Vincent,<div><span class="Apple-tab-span" style="white-space:pre"> </span>I'm glad you're happy with Chimera (mostly ;-) ). Sure we would consider it. The Build Structure tool is one of those "second line" features that I work on improving as time permits. I will open a feature-request ticket in our database with you and Dr. Maroun on it so that you both will be notified when it gets implemented. It will probably happen in the same 1.6-1.7 time frame that I mentioned in the mail to Lucio yesterday, though it happens that upon reflection his feature was easy enough to implement that I just went ahead and did it today. I'm thinking that chirality inversion will be a <i>tad</i> more difficult, so my time estimate may be more realistic this time unfortunately!</div><div><br></div><div>--Eric</div><div><br><span class="Apple-style-span" style="font-size: 16px; "> Eric Pettersen</span><br><div><span class="Apple-style-span" style="border-collapse: separate; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 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; -webkit-text-decorations-in-effect: none; text-indent: 0px; -webkit-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> UCSF Computer Graphics Lab</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="5" style="font: normal normal normal 16px/normal Helvetica; "> <a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a></font></div></div></span></div><div><div><br></div><div>On Apr 6, 2011, at 11:49 PM, vincent zoete wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Dear Chimera team,<br><br>We are very satisfied daily users of Chimera for drug design and<br>protein engineering applications in our lab. Congratulations for your<br>great work!<br><br>I would like to come back on the point raised by Dr. Charbel MAROUN<br>recently. Having the possibility to change the configuration of<br>whatever chiral atom would be very useful for drug design<br>applications. It's true that we can do it using other software like<br>Pymol or HyperChem, to cite just two of them arbitrarily. But it would<br>be much more convenient to rapidly and graphically do it in Chimera,<br>without the need to switch to another program for that particular and<br>single action.<br>We are often working with D-amino acids and chiral small molecules. We<br>apreciate a lot the "Build Structure" module to construct or modifiy<br>such compounds, and allowing more control on the chiral center<br>configuration would be very useful.<br><br>Do you think you could consider adding such chirality inversion<br>command in the future?<br><br>Sincerely,<br><br>Vincent Zoete,<br>Molecular Modeling group - SIB<br><br><a href="http://www.click2drug.org">www.click2drug.org</a><br><br><br><br><br><br><br><br><br><br>===========================================================<br><br>Hello,<br>Sorry, Chimera does not do that. I am pretty sure that SYBYL and<br>probably some other programs will do it, but you may want to ask on a<br>more general list such as CCL.net for a more certain and detailed<br>answer about other programs.<br>Best,<br>Elaine<br>-----<br>Elaine C. Meng, Ph.D.<br>UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab<br>Department of Pharmaceutical Chemistry<br>University of California, San Francisco<br><br>On Jan 28, 2011, at 6:15 AM, R. Charbel Maroun wrote:<br><br><blockquote type="cite">Hi everybody,<br></blockquote><blockquote type="cite">Is there an easy and quick way to invert the chirality of an atom, say a Ca ?<br></blockquote><blockquote type="cite">Greetings,<br></blockquote><blockquote type="cite">-----------------------------------------<br></blockquote><blockquote type="cite">R. Charbel MAROUN, Ph.D., H.D.R.<br></blockquote>_______________________________________________<br>Chimera-users mailing list<br>Chimera-users@cgl.ucsf.edu<br>http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users<br></div></blockquote></div><br></div><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; "><span class="Apple-style-span" style="font-size: medium;"><br></span><br class="Apple-interchange-newline"></div></span> </div><br></body></html>