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
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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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