[phenixbb] TLS refinement in phenix

Pavel Afonine PAfonine at lbl.gov
Fri Jul 2 06:10:52 PDT 2010


Hi Mirage,

> I am refining a 2.25 A structure in phenix using TLS parameters. In 
> the generated PDB there is one ANISOU record along with the ATOM 
> record. I am not understanding this. can anybody help me about this

see slides 30-36 here:

http://www.phenix-online.org/presentations/neutron_japan_2009/phenix_japan_part1.pdf

which explain this.

Briefly: "TLS refinement" = "Constrained anisotropic refinement", 
therefore ANISOU records.

Pavel.




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