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

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

Previous message:
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

Next message:
Subject: Re: fixing position in the refinement: Shelx, refmac5
From: "George M {- dot -} Sheldrick" gsheldr {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-04-04

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

Is that also how you would restrain refinement at low resolution when
using a high-resolution model? (e.g. a 1.8A model into 4A data)

phx.

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