[phenixbb] tls group and anisotropic

Pavel Afonine pafonine at lbl.gov
Thu Jun 16 19:20:47 PDT 2011

Dear Tiantian,

all the questions that you asked in this email are addressed in great 
details here:

1) http://www.phenix-online.org/newsletter/
see articles:
"On atomic displacement parameters ..."
"TLS for dummies"

pages 23-30

3) http://www.phenix-online.org/presentations/latest/pavel_phenix_refine.pdf
pages 23.

Please let me know if it is still not clear and I will be happy to 
explain some more.

Briefly, yes, what you get is expected and there is nothing to worry 
about. TLS refinement = constrained anisotropic ADP refinement.


On 6/16/11 7:11 PM, ChenTiantian wrote:
> Dear Phenixers,
> I refined my structure with TLS, I did not mean to refine it with 
> anisotropic strategy, but I got ANISOU record.
> As the manual metioned, when doing TLS refinement, It always happens 
> like this.
> What does this ANISOU record mean ?
> Does that mean TLS is a grouped anisotropic refinement?
> Tiantian
> -- 
> Drug Discovery and Design Center,
> Shanghai Institute of Materia Medica, Chinese Academy of Sciences
> Address: Room 101, 646 Songtao Road, Zhangjiang Hi-Tech Park,
> Pudong New Area, Shanghai, 201203, P.R. China
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