<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
Hello,<br>
<br>
if following manual does not help:<br>
<a class="moz-txt-link-freetext" href="http://phenix-online.org/documentation/refinement.htm#anch111">http://phenix-online.org/documentation/refinement.htm#anch111</a><br>
please send me data and model files (to me directly!), indicate
atoms in question and I will send you back working example.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 12/31/13, 6:03 PM, YANG HAI wrote:<br>
</div>
<blockquote
cite="mid:CAM=MU7Su=1_+N12QcCv5qYjU1ytW2c_Gehxj3dOqYb4GSuXYqw@mail.gmail.com"
type="cite">
<div dir="ltr">Dear Phenix Community,
<div> I tried to model two ligands one of which has two
conformations. In other words, the two scenarios are: 1)
ligand X with conformation A (XA, 75% occupancy); 2) ligand X
with conformation B (XB, 25% occupancy) plus another ligand Y.
However, the problem is ligand Y will have steric clash with
ligand XA. If I rename ligand X and Y to the same residue name
then I do not know how to define the CIF file. </div>
<div> I apologize if this question was asked before and I do
not know how Phenix or other refinement can deal with multiple
conformation a group of ligands. </div>
<div>Thanks.</div>
<div><br>
</div>
<div>Happy new year!</div>
<div><br>
</div>
<div>Yang Hai</div>
<div>Christianson Lab</div>
<div>University of Pennsylvania</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
phenixbb mailing list
<a class="moz-txt-link-abbreviated" href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>
<a class="moz-txt-link-freetext" href="http://phenix-online.org/mailman/listinfo/phenixbb">http://phenix-online.org/mailman/listinfo/phenixbb</a>
</pre>
</blockquote>
<br>
</body>
</html>