[phenixbb] TLS refinement in phenix

Pavel Afonine PAfonine at lbl.gov
Fri Jul 2 09:37:42 PDT 2010

> They are "pseudo-ANISOU" records that contain the TLS contribution. 
> Nothing to worry about, they are not "real" ANISOU records as in the 
> case of anisotropic temperature factor refinement. 

Now I don't understand this -:) What are the "pseudo-ANISOU", "real" 
ANISOU ? I think it's just good to realize which model parameterization 
is used and what it means, then there will be no surprise-results. TLS 
is a constrained anisotropic refinement.

Following your "pseudo" vs "real" analogy, we can then call coordinates 
in ATOM records obtained after NCS constrained refinement as 
"pseudo-ATOM", and those obtained after regular restrained refinement as 
"real" ones.


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