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[ccp4bb] torsion restraints COOT
 

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CCP4bb <-- 2008 <-- February 2008 <-- 27 February 2008
Previous message:
Subject: Re: SC program in CCP4 - No radius found for residue G atom P
From: "Stein, ND (Norman)" n {- dot -} d {- dot -} stein {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-02-27 		Next message:
Subject: Re: torsion restraints COOT
From: Paul Emsley paul {- dot -} emsley {- at -} BIOCH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-02-27


Subject: torsion restraints COOT
From: Brenda Patterson ucbccka {- at -} UCL {- dot -} AC {- dot -} UK
Date: 2008-02-27
Dear all

I am doing molecular replacement with a model of sequence identity 42%. Have
been trying numerous combinations of weighting in refmac of CCP4. However the
geometry of the model is not being maintained. I am then trying manual fitting
of the model in COOT. However when torsion restraints are applied in the
refine/regularisation option the model comes out of the density. how would you
tackle this please? i also have developed CIS peptides in places and have found
that trying to revert these to trans is again causing the model to come out of
the density severely. Does anyone think it's ok not to use the torsion
restraints in COOT and simply use real space refine/regularisation as it is in
COOT?

Cheers

Brenda

CCP4bb navigation

CCP4bb <-- 2008 <-- February 2008 <-- 27 February 2008
Previous message:
Subject: Re: SC program in CCP4 - No radius found for residue G atom P
From: "Stein, ND (Norman)" n {- dot -} d {- dot -} stein {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-02-27 		Next message:
Subject: Re: torsion restraints COOT
From: Paul Emsley paul {- dot -} emsley {- at -} BIOCH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-02-27


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