<html><head><meta http-equiv="Content-Type" content="text/html charset=windows-1252"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Hi Ajay,<div class=""><span class="Apple-tab-span" style="white-space:pre">        </span>The script referenced in this chimera-users archive message will compute it:</div><div class=""><br class=""></div><div class=""><a href="http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html" class="">http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html</a></div><div class=""><br class=""></div><div class="">Extracting the script from that message may be challenging, so I’m attaching it again. &nbsp;It’s also available from our Chimera Scripts page:</div><div class=""><br class=""></div><div class=""><a href="http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts" class="">http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts</a></div><div class=""><br class=""></div><div class="">Like it says in the original message you have to assign partial charges before running the script (Tools-&gt;Structure Editing-&gt;AddCharge, or the “addcharge” command).</div><div class=""><br class=""></div><div class="">—Eric</div><div class=""><br class=""><div apple-content-edited="true" class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><span class="Apple-tab-span" style="white-space: pre;">        </span>Eric Pettersen</div><div class=""><span class="Apple-tab-span" style="white-space: pre;">        </span>UCSF Computer Graphics Lab</div><div class=""><br class=""></div></div></div></div></body></html>