<!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, I'm completely agree with Tom.<br>
<br>
Pavel.<br>
<br>
<br>
Tom Terwilliger wrote:
<blockquote cite="mid6.2.5.6.2.20070327150818.0307c248@lanl.gov"
type="cite">
<pre wrap="">Hi Jianghai,
Pavel and I have spent a lot of time on this with a systematic study
of NCS in refinement, without reaching a final answer, but with some
observations. The bottom line: for most applications tight ncs works
pretty well. It is very difficult to define the best NCS weighting,
and there are not that many cases where loose restraints (e.g., 0.5
A of 1.0 A instead of 0.05 A) do that much good. It is also not so
clear that the NCS restraints are generally making a very positive
difference (in free R).
Experiences from yourself and others would be useful to hear!
-Tom T
At 02:38 PM 3/27/2007, Jianghai Zhu wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Hi,
I am wondering how the NCS weighting in phenix.refine works. I
guess the default values (coordinate_sigma = 0.05, b_factor_weight =
10) are pretty tight. What kind values would be appropriate for
medium and loose NCS?
Jianghai
+++++++++++++++++++++++++++++++
Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232
+++++++++++++++++++++++++++++++
_______________________________________________
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=""><!---->
Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545
Tel: 505-667-0072 email: <a class="moz-txt-link-abbreviated" href="mailto:terwilliger@LANL.gov">terwilliger@LANL.gov</a>
Fax: 505-665-3024 SOLVE web site: <a class="moz-txt-link-freetext" href="http://solve.lanl.gov">http://solve.lanl.gov</a>
PHENIX web site: <a class="moz-txt-link-freetext" href="http:www.phenix-online.org">http:www.phenix-online.org</a>
ISFI Integrated Center for Structure and Function Innovation web
site: <a class="moz-txt-link-freetext" href="http://techcenter.mbi.ucla.edu">http://techcenter.mbi.ucla.edu</a>
TB Structural Genomics Consortium web site: <a class="moz-txt-link-freetext" href="http://www.doe-mbi.ucla.edu/TB">http://www.doe-mbi.ucla.edu/TB</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>
</body>
</html>