> > I noticed that one can manually define a 'Code' for a molecular system
> > and the chains within upon creating them via the importing process.
> > However, when you initially create them by hand it seems that the Name
> > can be changed by hand, but that the Code is automatically created and
> > can not be modified.
> >
> > Could you allow the Code to be manually defined during the manual
> > creation as ell? Is it possible to manually change its value right now?
> > (Note that the Code I mean is the system ID that is displayed in the
> > spectra, assignment tables, etc: Molecular Systems are by default marked
> > as MS1, MS2....; Chains are a,b,c,...)
>
> I second this request. Unfortunately for historical reasons analysis uses
> the ccp.api.molecule.MolSystem.Chain.code rather than the user definable
> ccp.api.molecule.MolSystem.Chain.pdbOneLetterCode as the public face of a
> chain. There are quite a few references to the Chain.code in the analysis
> code, each of which needs to be examined to decide whether Chain.code or
> Chain.pdbOneLetterCode is the appropriate attribute to display/manipulate.
> I fear that it is too fudamental to everything working to be easily
> delegated (care to comment Tim?).
Yep, while it is possible to shift the Analysis GUI away from the fixed
keys for both MolSystem and Chain code it is a fair amount of work when
other things are pressing. Should appear at some stage though. Fickle
users were not high on the agenda when we started Analysis. ;-)
There is a way to change things currently, albeit in a cumbersome way, by
making new molSystems and chains and using the copy chain assignments
functionality.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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