<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 don't really understand your usage scenario. It seems to me that rotating around the chelation bond will either be like rotating around a hydrogen/heavy-atom bond (produces no relative motion) or around a ring bond (tears the structure apart). Nonetheless I think you can accomplish what you want one of two ways:</div><div><br></div><div>1) temporarily form a "real" bond with the metal and then destroy it afterward (bond/~bond commands)</div><div><br></div><div>2) use the roll command to rotate around the metal/chelating-atom axis (use an "axis" argument which is an atom spec selecting the metal and chelating atom; a "center" argument which is one of the two atoms; and a "models" argument which is the model(s) containing the metal and chelating residue). These arguments to the roll command are only available in the daily build.</div><div><br></div><div>--Eric</div><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><div><div>On May 22, 2009, at 7:49 AM, Jean Didier Pie Marechal wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Dear all,<br>sorry to bother you again. <br>I want to perform a conformational search rotating residues around their chelation bond with a metal. With the adjust torsion tool, I can't rotate around pseudo bond, and I actually need to transform the different pseudo bonds in bonds.<br><br>Could you authorize pseudo bonds to be rotated around? (in the contrary I'll continue with transforming pseudo bonds in bonds, but I thought that remaining with pseudo bonds is better especially when you do "add hydrogens" or other stuffs afterwards )<br><br>All the best,<br>JD<br><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)</div></blockquote></div></div></body></html>