Hello,
It is on the TODO list (after couplings), so hopefully before Christmas.
Tim says it's non-trivial because a lot of the innards of the assignment
code will need re-working.
Wayne
On Mon, 21 Sep 2009, Christoph Brockmann wrote:
> Hi everyone,
>
> has something changed in this respect with 2.0 or 2.1? We have the same
> situation here and would very much like to know how to proceed to keep things
> the least frustrating at NOE assignment stage.
>
> thanks,
> Christoph
>
> -------- Original Message --------
> Subject: Re: Multiple Conformations in analysis
> Date: Thu, 22 May 2008 15:20:34 +0100
> From: Rasmus Fogh <[log in to unmask]>
> Reply-To: CcpNmr software mailing list <[log in to unmask]>
> To: [log in to unmask]
>
> Dear Andy,
>
> The data model has specific provision for handling this kind of situation.
> Unfortunately this has not been incorporated into the Analysis interface
> yet. It may be ready for version 2.0. Meanwhile we would recommend making
> a MolSystem with several identical chains, one for each conformation. This
> will be a bit more clunky, but it will enable you to store the
> information. In theory you could also have several molsystems with a chain
> each, but we think a single MolSystem will be more handy.
>
> The Molecules->Copy Chain Assignments command can help to copy
> assignements between chains, and if the situation is not too messy we will
> look at converting the result to proper data model objects once Analysis
> has caught up.
>
> I am afraid that is the best we can do at the moment.
>
> Yours,
>
> Rasmus
>
> ---------------------------------------------------------------------------
> Dr. Rasmus H. Fogh Email: [log in to unmask]
> Dept. of Biochemistry, University of Cambridge,
> 80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
>
> On Wed, 21 May 2008, Dr Andy Herbert wrote:
>
> > Hi,
> >
> > We have a protein which exists in multiple conformations. We are
> > wondering therefore, what is the currently recommended method for
> > handling this type of assignment within analysis.
> >
> > Cheers
> >
> > Andy
> >
> > --
> > Dr Andy Herbert
> > Department of Chemistry
> > University of Edinburgh
> > West Mains Road
> > Edinburgh
> > UK
> > EH9 3JJ
> > Tel: +44 (0)131 651 3042 or 650 7372
> > Email: [log in to unmask]
> >
> >
> > The University of Edinburgh is a charitable body, registered in
> > Scotland, with registration number SC005336.
> >
>
>
>
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