<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
Hi John,<br>
<br>
<blockquote
cite="mid:1605470434.438736.1485352918063@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">For the "refinement
settings" in the phenix.refine graphical interface, will you
please let me know when we need to change the parameters in
"Refinement target weight..."? And is any rule on how to modify
the �parameters in "Refinement target weight..."?<br>
</div>
</blockquote>
<br>
normally, you only need to change anything in that department if you
think it is necessary. If you don't know or doing sort of "SA vs NCS
vs TLS vs twinning" experiments then it's better leave that alone. <br>
<br>
Enabling weight optimization makes sense if:<br>
- you are doing the final round of refinement (say before PDB
deposition);<br>
- have enough CPU power or happy to wait longer for hopefully better
result;<br>
- have a strong reason to believe that automatically determined
weights are not optimal (for example, Rfree-Rwork gap is too large,
or have many geometry outliers, like Ramachandran plot outliers,
etc).<br>
<br>
See also:<br>
<br>
Improved target weight optimization in phenix.refine<br>
<a class="moz-txt-link-freetext" href="http://phenix-online.org/newsletter/CCN_2011_07.pdf">http://phenix-online.org/newsletter/CCN_2011_07.pdf</a><br>
<br>
All the best,<br>
Pavel<br>
<br>
</body>
</html>