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Re: [ccp4bb]: TLS refinement: Fix B-factors?



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Hi Florian,

I have tried TLS-refinement both ways and after few structures trials I now
always start with the B-factors fixed at Wilson plot B-value (that is also the
way Martyn Winn recommends) because it gives me better results. However, again
as Martyn said, in case of B-factors fixed to one value for TLS, I run many
more cycles of individual B-factors restrained refinement afterwards; it
usually takes some 20 or 30 cycles before the refinement fully converges. I
hope it will be the same for you.

Cheers,

Aleks

On Oct 10th, Florian Schmitzberger wrote:
> Subject: [ccp4bb]: TLS refinement: Fix B-factors?
>
> [ Attachment (multipart/alternative): 4556 bytes ]
>-- End of excerpt from Florian Schmitzberger



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* Aleksander W. Roszak, Ph.D.               E-mail: aleks@chem.gla.ac.uk *
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