Re: [ccp4bb]: refmac5 and NCS restraints

[Garib Murshudov <garib@ysbl.york.ac.uk>]

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Only one small mistake. SPANS should be NSPANS (Program should warn I
agree).

Garib

Laurent Maveyraud wrote:

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>
> Dear All,
>
> how should one define NCS restraints in refmac5 ?
> According to the manual, this is what I use :
> NCSR  NCHAINS 2  CHAINS A C SPANS 1 22 264 1
>
> which should define 1 NCS restraint, for 2 protein chains, the 1st goes
> from 22A to 264A and the second from 22C to 264C. The restraint is tight
> for main chain and side chain.
>
> However this is what refmac5 understands :
>  Number of different NCS restraints     1
>
> NCS restraint      :    1
> Number of chains   :     2
> Chain names        : A C
>   Spans            1
> Span      1, From  -9999 to 99999, weighting code    0
>
> Whatever the restraint type I use (1 or 6), and whatever the number of
> spans I define, I always get the same log file and the same results...
>
> What is wrong in my syntax ?
>
> laurent
>
> --
>
> -------------------------------------------------------------------
> Laurent Maveyraud
> Groupe de Cristallographie Biologique  -  IPBS-CNRS
>
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Garib N. Murshudov, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 62 87, work:  +44 (1904) 43 25 65
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