<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div><blockquote type="cite" class=""><div class="">On Apr 26, 2016, at 11:30 AM, Jérémie KNOOPS [531802] <<a href="mailto:Jeremie.KNOOPS@umons.ac.be" class="">Jeremie.KNOOPS@umons.ac.be</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><span style="font-family: Tahoma; font-size: 13px; font-style: normal; font-variant-caps: normal; font-weight: normal; 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; float: none; display: inline !important;" class="">I have an additional question : what's the way to restrict the residues to search for hbond donors & acceptors with python commands?</span><br style="font-family: Tahoma; font-size: 13px; font-style: normal; font-variant-caps: normal; font-weight: normal; 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;" class=""></div></blockquote><br class=""></div><div>I overlooked this question on my first read. You do it by specifying the donors/acceptors keywords in the findHBonds() call. The simplest way to do that is to select the residues you want to restrict the search to, by whatever means you find convenient, and then in the script:</div><div><br class=""></div><div>from chimera.selection import currentAtoms</div><div>donors = acceptors = currentAtoms()</div><div><br class=""></div><div><br class=""></div>…and the end of the FindHBonds call in the script would be modified to look like:<div class=""><br class=""></div><div class="">…, cacheDA=True, donors=donors, acceptors=acceptors))</div><div class=""><br class=""></div><div class="">—Eric</div><div class=""><br class=""></div><div class=""><div class=""><div style="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><br class=""></div><div><blockquote type="cite" class=""></blockquote></div></div></body></html>