<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type">
</head>
<body bgcolor="#ffffff" text="#000000">
Yes, this will turn bulk solvent correction and anisotropic scaling off
completely. In some cases it may result in R-factors increase by ~5% or
similar. So it may only make sense in exotic cases or if you do
numerical experiments (simulated data etc..).<br>
<br>
Pavel.<br>
<br>
<br>
On 12/3/2008 1:36 AM, junfeng liu wrote:
<blockquote cite="mid:4936531E.5030505@nimr.mrc.ac.uk" type="cite">
<pre wrap="">Add
bulk_solvent_and_scale=False
when you run it again.
<a class="moz-txt-link-abbreviated" href="mailto:csantiag@cnb.csic.es">csantiag@cnb.csic.es</a> wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Hi all,
I'm refining a protein and after running phenix.refine I always get a bulk
solvent refinement cycle at the end of the process. Is there any way to
get rid of the last step?
------------------------------------------------------------------------
REMARK stage angl bond chir dihe plan repu geom_target
REMARK 0 : 1.007 0.027 0.237 18.975 0.004 4.107 2.7953e-01
REMARK 1_bss: 1.007 0.027 0.237 18.975 0.004 4.107 2.7953e-01
REMARK 1_xyz: 1.844 0.015 0.087 19.502 0.005 4.106 1.9824e-01
REMARK 1_adp: 1.844 0.015 0.087 19.502 0.005 4.106 1.9824e-01
REMARK 2_bss: 1.844 0.015 0.087 19.502 0.005 4.106 1.9824e-01
REMARK 2_xyz: 1.222 0.008 0.075 19.562 0.005 4.107 1.2876e-01
REMARK 2_adp: 1.222 0.008 0.075 19.562 0.005 4.107 1.2876e-01
REMARK 3_bss: 1.222 0.008 0.075 19.562 0.005 4.107 1.2876e-01
REMARK 3_xyz: 1.021 0.005 0.063 19.049 0.004 4.111 1.0306e-01
REMARK 3_adp: 1.021 0.005 0.063 19.049 0.004 4.111 1.0306e-01
REMARK 3_bss: 1.021 0.005 0.063 19.049 0.004 4.111 1.0306e-01
REMARK
------------------------------------------------------------------------
César Santiago
Dept of Macromolecules Structure
Centro Nacional de Biotecnología, CSIC
Campus Cantoblanco
28049 Madrid
Spain
<a class="moz-txt-link-abbreviated" href="mailto:csantiag@cnb.csic.es">csantiag@cnb.csic.es</a>
_______________________________________________
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://www.phenix-online.org/mailman/listinfo/phenixbb">http://www.phenix-online.org/mailman/listinfo/phenixbb</a>
</pre>
</blockquote>
<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://www.phenix-online.org/mailman/listinfo/phenixbb">http://www.phenix-online.org/mailman/listinfo/phenixbb</a>
</pre>
</blockquote>
</body>
</html>