<div dir="ltr">Dear Guenter,<div><br></div><div>Yes, it is similar to adding bond/angle restraints described here:</div><div><a href="https://phenix-online.org/documentation/reference/refinement.html#definition-of-custom-bonds-and-angles">https://phenix-online.org/documentation/reference/refinement.html#definition-of-custom-bonds-and-angles</a><br></div><div>The only difference is you would use planarity restraints scope as below (from the bottom of the doc page):</div><div><ul style="list-style:none;color:rgb(0,0,0);font-family:monospace;font-size:11.7px"><li class="gmail-phil-param gmail-phil-scope" style="clear:both;padding:5px"><span class="gmail-phil-name" style="font-weight:bold">planarity</span><ul style="list-style:none"><li class="gmail-phil-param" style="clear:both;padding:5px"><span class="gmail-phil-name">action</span><span class="gmail-phil-words" style="color:red"> = *add delete change</span></li><li class="gmail-phil-param" style="clear:both;padding:5px"><span class="gmail-phil-name">atom_selection</span><span class="gmail-phil-words" style="color:red"> = None</span></li><li class="gmail-phil-param" style="clear:both;padding:5px"><span class="gmail-phil-name">sigma</span><span class="gmail-phil-words" style="color:red"> = None</span></li></ul></li></ul>You will have to combine all atoms you want to a single selection, like "Chain X and resid Z and (name A or name B or name C or name D)", where Z is residue id (a number).</div><div><br></div><div>Best regards,</div><div>Oleg Sobolev.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, May 27, 2022 at 4:48 AM Guenter Fritz <<a href="mailto:guenter.fritz.phenix.ccp4@gmail.com">guenter.fritz.phenix.ccp4@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear all,<br>
<br>
is it possible to define custom planar restraints, let's say atoms <br>
A,B,C,D from residue Z should stay in a plane.<br>
<br>
Best regards,<br>
<br>
Guenter<br>
<br>
_______________________________________________<br>
phenixbb mailing list<br>
<a href="mailto:phenixbb@phenix-online.org" target="_blank">phenixbb@phenix-online.org</a><br>
<a href="http://phenix-online.org/mailman/listinfo/phenixbb" rel="noreferrer" target="_blank">http://phenix-online.org/mailman/listinfo/phenixbb</a><br>
Unsubscribe: <a href="mailto:phenixbb-leave@phenix-online.org" target="_blank">phenixbb-leave@phenix-online.org</a></blockquote></div>