Re: [ccp4bb] secondary structure restraints

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Subject: Re: secondary structure restraints
From: Raji Edayathumangalam redayath {- at -} MAIL {- dot -} ROCKEFELLER {- dot -} EDU
Date: 2008-02-13

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From: Martin Moche Martin {- dot -} Moche {- at -} KI {- dot -} SE
Date: 2008-02-14

Subject: Re: secondary structure restraints
From: Paul Paukstelis paul {- at -} ICMB {- dot -} UTEXAS {- dot -} EDU
Date: 2008-02-13

For a (very) low resolution RNA/protein complex in which we had high(er)
resolution structures for both components, I used the optimal hydrogen
bonds from these structures (WHATIF output) as restraints. I made a
couple perl scripts to take this output and generated either CNS or
REFMAC restraints.

http://hood.icmb.utexas.edu/~paul

bottom of the page.

Best,

--paul

Sean Johnson wrote:
> I am trying to build and refine a model into 3.6 angstrom Se-met
> phased maps. What is the best way to define secondary structure
> restraints for refinement? (hydrogen bonds? backbone torsion angles?)
> Are there any tools available to help me define restraints for a
> specified region, or do I have to define each restraint one at a time
> (which strikes me as a very tedious exercise).
>
> Any other thoughts on best practices for low-resolution model building
> and refinement would also be appreciated.
>
> Thanks,
> Sean
>

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CCP4bb <-- 2008 <-- February 2008 <-- 13 February 2008

Previous message:
Subject: Re: secondary structure restraints
From: Raji Edayathumangalam redayath {- at -} MAIL {- dot -} ROCKEFELLER {- dot -} EDU
Date: 2008-02-13

Next message:
Subject: Post Doctoral Fellowships (24 months)
From: Martin Moche Martin {- dot -} Moche {- at -} KI {- dot -} SE
Date: 2008-02-14