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[ccp4bb] Refmac unrestrained refinement on ligands only
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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Re: Parameter MAXSAVE exceeded
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-07-04		Next message:
Subject: Re: Refmac unrestrained refinement on ligands only
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2008-07-04


Subject: Refmac unrestrained refinement on ligands only
From: Matthew BOWLER bowler {- at -} ESRF {- dot -} FR
Date: 2008-07-04

Dear All,
I have looked everywhere for answers on this one with no luck... I
have several structures at reasonable resolution 1.7 to 1.1A. I have
performed unrestrained refinement on the model which is fine for the
core protein and ligands but the surface atoms start flying off a bit.
So what I would like to do is unrestrained refinement only on the
ligands and leave the protein restraints in place. I have a feeling
that if I cannot do it in Refmac I can in phenix but I cannot find
anything out about that either. All help greatly appreciated, yours, Matt.


--
Matthew Bowler
Macromolecular Crystallography Group
European Synchrotron Radiation Facility
B.P. 220, 6 rue Jules Horowitz
F-38043 GRENOBLE CEDEX
FRANCE
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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Re: Parameter MAXSAVE exceeded
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-07-04		Next message:
Subject: Re: Refmac unrestrained refinement on ligands only
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2008-07-04
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