[phenixbb] Anisotropy with TLS

Eugene Osipov e.m.osipov at gmail.com
Wed May 30 23:49:04 PDT 2018


Hi, everyone,
Can someone shed a light on B-factor refinement in PHENIX.refine.
I am refining the structure with 2.5 A resolution, with individual
B-factors and automatically defined TLS groups. Despite isotropic
refinement of B-factors I still see ANISOU entries for atoms.
I figured out that these ANISOU lines appear only after TLS refinement.
So the question is how these ANISOU values are calculated?

-- 
Eugene Osipov
Junior Research Scientist
Laboratory of Enzyme Engineering
A.N. Bach Institute of Biochemistry
Russian Academy of Sciences
Leninsky pr. 33, 119071 Moscow, Russia
e-mail: e.m.osipov at gmail.com
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