<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
Hi,<br>
<br>
<blockquote
cite="mid:1990835336.2786776.1455311319327.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:16px">
<div dir="ltr" id="yui_3_16_0_1_1455321932652_2614">I'm working
with one protein, crystallized in oxidized form, which
exhibits negative density in the Fo-Fc map at the center of
the disulfide bond. As a test of radiation-induced reduction
during data collection, I'd like to do a trial refinement
described in a previous work from literature, where SG sulfurs
of involved cysteines were refined without van der Waals
interactions to monitor distances of these atoms.<br>
How can I do this calculation in Phenix? Thanks in advance<br>
</div>
</div>
</blockquote>
<br>
specifically what repulsions you want to disable (between what
atoms)? Note, if SG is involved in disulfide bond then there is no
repulsion term between it and the other SG.<br>
<br>
Pavel<br>
</body>
</html>