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
> <http://www.ysbl.york.ac.uk/%7Egarib/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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>
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