[phenixbb] input initial TLS parameters

Pavel Afonine pafonine at lbl.gov
Sun Feb 24 09:44:14 PST 2008

Hi Jorge,

>     I tried to find a way to input initial TLS parameters for the 
> groups into phenix. 

There is absolutely no need to give phenix.refine a start input values 
for TLS groups: phenix.refine determines them automatically. All you 
need to provide are the selections for TLS groups.

> I know many times this is not advisable, but I wanted to test what 
> comes out from TLSmd server. 

This is not advisable, indeed (and not possible to do as well). 
phenix.refine must do a better job in finding TLS parameters than TLSmd 
server simply because phenix.refine uses the experimental data + very 
sophisticated and robust refinement protocol, while the TLSmd server 
relies on the B-factors in input PDB file (as far as I know, correct me 
if it's not true).


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