[phenixbb] How do different sections of TLS groups affect refinment

Pavel Afonine PAfonine at lbl.gov
Wed Jan 20 16:02:47 PST 2010

> There are many examples of helices flexing or breaking in comparing  
> strucures of the same protein bound to different ligands, so don't  
> worry about that.

If I understood your point correctly... I think there are two different 

1) different helix shapes across multiple crystal structures (and 
multiple datasets associated with them), and
2) a helix in a particular crystal structure (with one single dataset 
associated with it) that flexes-bends-brakes back-and-forth enough to 
accept that it can be broken down into multiple (tls-refinable) rigid 

In refinement we deal with "2)" and therefore I was skeptical about such 


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