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

[Kendall Nettles]

I was suggesting that tls motions may be representative of larger  
motions that occur in solution, which we may get snapshots of by  
comparing different structures.

Kendall

On Jan 20, 2010, at 7:03 PM, "Pavel Afonine" <PAfonine at lbl.gov> wrote:

>
>> 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
> things:
>
> 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
> bodies.
>
> In refinement we deal with "2)" and therefore I was skeptical about  
> such
> possibility.
>
> Pavel.
>
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