Re: [ccp4bb]: Idealizing secondary structure

[Flip Hoedemaeker <hoedemae@chem.leidenuniv.nl>]

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Maybe it is a good idea to start over and treat the secondary structure
elements you are sure of as rigid bodies during the refinement.

Flip



rlucas@uci.edu wrote:

> It seems the consensus is that it is a poor idea to impose secondary
> structure on a hypothetical model but I have a situation where it seems
> appropriate.
> 
> I have a 4A plant virus dataset. It was phased using another plant
> virus that had clear beta sheets and alpha helices. In the process
> of refining the structure these secondary structure elements have
> gotten worse while the R and Free R have been getting better.
> I believe that since the data is only at 4A there is too much free play.
> [..]
-- 
P.J. Hoedemaeker Ph.D.
Leiden Institute of Chemistry, Gorlaeus Laboratories.
Einsteinweg 55 / P.O. Box 9502 2300 RA, Leiden The Netherlands.
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