On Mon, 9 Apr 2007, Patrick van der Wel wrote:
> 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?).
--
Dr. Brian O. Smith ---------------------- B Smith at bio gla ac uk
Division of Biochemistry & Molecular Biology,
Institute Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 8640
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