[phenixbb] trouble in phenix.refine - PS

Pavel Afonine pafonine at lbl.gov
Wed Nov 26 10:38:13 PST 2008


> 2) Just a remark: I'm wondering why you are running just 
> "strategy=tls"?... It is much more efficient to do TLS refinement 
> combined with coordinates refinement and total atomic B-factor 
> refinement as well. By using "strategy=tls" you are refining only 20 TLS 
> parameters per TLS group.
>   

To do this use "strategy=tls+individual_adp+individual_sites". Please 
check phenix.refine manual for details.

Pavel.




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