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Tue Sep 25 15:04:34 PDT 2012


<br>
B:\Users\oeffner\Tests\<u></u>MRproblem&gt;phenix.python<br>
Python 2.7.3 (default, Apr 10 2012, 23:24:47) [MSC v.1500 64 bit (AMD64)] o=
n win32<br>
Type &quot;help&quot;, &quot;copyright&quot;, &quot;credits&quot; or &quot;=
license&quot; for more information.<br>
<blockquote class=3D"gmail_quote" style=3D"margin:0 0 0 .8ex;border-left:1p=
x #ccc solid;padding-left:1ex"><blockquote class=3D"gmail_quote" style=3D"m=
argin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><blockquote c=
lass=3D"gmail_quote" style=3D"margin:0 0 0 .8ex;border-left:1px #ccc solid;=
padding-left:1ex">

<br>
from mmtbx.scaling import xtriage<br>
xtrobj =3D xtriage.run([&quot;dom2.1.mtz&quot;, &quot;--quiet&quot;])<br>
print &quot;Wilson B=3D %2.2f&quot; %xtrobj.basic_results.iso_b_<u></u>wils=
on<br>
</blockquote></blockquote></blockquote>
Wilson B=3D 161.98<br>
<br>
<br>
The script will then only print the B factor although xtriage still does &q=
uot;everything else&quot; under the hood.<br>
<br>
rob<br>
<br>
<br>
<br>
<br>
On 2014-03-21 16:45, Morten Gr=F8ftehauge wrote:<br>
<blockquote class=3D"gmail_quote" style=3D"margin:0 0 0 .8ex;border-left:1p=
x #ccc solid;padding-left:1ex">
Hi guys,<br>
<br>
Is there a way to just have phenix.xtriage compute and output the<br>
Wilson B factor and not do everything else? I want to run it on a lot<br>
of files and that would simplify things.<br>
<br>
Cheers<br>
Morten<br>
<br>
-- <br>
Morten K Gr=F8ftehauge, PhD<br>
Pohl Group<br>
Durham University<br>
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</blockquote>
______________________________<u></u>_________________<br>
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</blockquote>
<br>
</div></div></blockquote></div><br><br clear=3D"all"><div><br></div>-- <br>=
Morten K Gr=F8ftehauge, PhD=A0<div>Pohl Group</div><div>Durham University</=
div>
</div>

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