[phenixbb] on TLS for Phenix refine
kjude at stanford.edu
Sat Feb 21 22:10:29 PST 2015
None of those. In phenix, anisotropic individual ADPs will be refined at
high resolution (better than 1.5 Å resolution by default). In the GUI,
this limit is set under Global Refinement Parameters > Resolution Limit for
automatic anisotropic ADPs.
On Fri, Feb 20, 2015 at 2:07 AM, Smith Lee <smith_lee123 at yahoo.com> wrote:
> Dear All,
> For TLS, the document says,
> "Can I use both TLS and anisotropic ADPs?
> Yes, but not for the same atoms - since TLS is essentially constrained
> anisotropic refinement, the two methods are mutually exclusive".
> In the "Refinment settings" of the Phenix refine graphical interface, will
> you please tell me which button is for the anisotropic ADP? The individual
> B-factors, or the Group B-factors, or only the "Optimize X-ray/ADP weight"?
> I am looking forward to getting your reply.
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