[phenixbb] changing TLS groups mid refinement

[Scott Classen]

Hi Pavel,
I have inherited a refinement project.
I was not satisfied with the previous choice of TLS groups.
I used TLSMD to determine a new set of TLS domains.
Can I just proceed or should I do anything special to the starting PDB to "erase" any influence of the previous choice of TLS groups.
Thanks,
Scott

On May 14, 2010, at 12:28 PM, Pavel Afonine wrote:

> Hi Scott,
>> Are there any considerations to changing TLS groups mid refinement? 
> 
> what you mean?
> 
> Sometime soon there will be a tool to identify TLS groups automatically so you don't need to run TLSMD. May be later on we make it run automatically as part of refinement so you just say "I want to do TLS refinement" and the rest will be done for you automatically.
> 
> Pavel.
> 
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