Re: [ccp4bb] fixing position in the refinement: Shelx, refmac5

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: OMIT map from Sfcheck
From: Michael Giffin mijogiffin {- at -} GMAIL {- dot -} COM
Date: 2008-04-03

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Subject: Re: fixing position in the refinement: Shelx, refmac5
From: Frank von Delft frank {- dot -} vondelft {- at -} SGC {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-04-04

Subject: Re: fixing position in the refinement: Shelx, refmac5
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-04-03

In newer version of refmac you can use harmonic restraints.
Take the new stable version of refmac from
www.ysbl.york.ac.uk/YSBLPrograms/index.jsp

and use harmonic restraints as described in:
http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_news.html

Keyword is:

external harmonic residues from [residue_number] [chain_name] to
[residue_number] [chain_name] sigma [value] sigma 0.1

With the current ccp4i version you can use developers option and add
an external keyword file that contains this keyword for residues you
want to fix.

I hope it helps.

Garib

On 4 Apr 2008, at 00:39, U Sam wrote:

> How one can fix position of few residues when refining in SHELX or
> Refmac5.
> Thanks. Sam.
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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: OMIT map from Sfcheck
From: Michael Giffin mijogiffin {- at -} GMAIL {- dot -} COM
Date: 2008-04-03

Next message:
Subject: Re: fixing position in the refinement: Shelx, refmac5
From: Frank von Delft frank {- dot -} vondelft {- at -} SGC {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-04-04