On Thursday 15 July 2010 09:18:33 am Huw Jenkins wrote:
>
> On 15 Jul 2010, at 17:06, Ethan Merritt wrote:
>
> > My gut feeling is that the best TLS description would be each base
> > (or base pair) in its own group, then use TLSMD to analyse and assign groups
> > for the backbone atoms. But again I have no actual experience with this,
> > so it's only a suggestion.
>
> Yes that's exactly what I was using before I found that paper! I think I'll
> stick with it.
> Huw
To be clear, if one splits the model into very small TLS groups like this
then the idea is to do so _instead_ of refining individual atomic B's.
That is, set all the individual Biso terms to a constant and then refine
only the TLS descriptions. I call this a "pure TLS" model.
Ethan
--
Ethan A Merritt
Biomolecular Structure Center, K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742
