[phenixbb] Obtaining just the Wilson B with Xtriage
rdo20 at cam.ac.uk
Fri Mar 21 11:42:45 PDT 2014
From phenix.python you can script it like:
Python 2.7.3 (default, Apr 10 2012, 23:24:47) [MSC v.1500 64 bit
(AMD64)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> from mmtbx.scaling import xtriage
>>> xtrobj = xtriage.run(["dom2.1.mtz", "--quiet"])
>>> print "Wilson B= %2.2f" %xtrobj.basic_results.iso_b_wilson
Wilson B= 161.98
The script will then only print the B factor although xtriage still does
"everything else" under the hood.
On 2014-03-21 16:45, Morten Grøftehauge wrote:
> Hi guys,
> Is there a way to just have phenix.xtriage compute and output the
> Wilson B factor and not do everything else? I want to run it on a lot
> of files and that would simplify things.
> Morten K Grøftehauge, PhD
> Pohl Group
> Durham University
> phenixbb mailing list
> phenixbb at phenix-online.org
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