Hello,
There is a slight data model issue here. So there are two concepts,
chains and molecules. A molecule is a description of the chemical
composition (including bonds, etc.). A chain is an instantiation of that
and can have coordinates, etc. There can be multiple chains for a given
molecule (which is why this distinction was introduced, I think). The
cases where you found that the seqCode changed are to do with the chain.
The Sequences tab though is about the molecule. Changing the Chain
Fragment seq number affects the Residues of the Chain but not the
MolResidues of the associated Molecule. Now I guess we could have it also
change the seqCode of that (well, assuming Rasmus doesn't say there is
some reason not to). But what if there are two chains and the seqCode has
been changed for one of the chains but not the other. But I guess if
there is only one chain that is not really an issue.
Wayne
On Fri, 11 Dec 2009, Andrew Fowler wrote:
> I think I may have found a bug, or at least an inconsistency. Analysis
> 2.1.2, Mac OS X 10.4.11 (probably irrelevant), installed from the package
> and updated yesterday.
>
> I recently found out that I've been using a numbering scheme for the peptide
> in a complex that's inconsistent with everyone else. So, I decided to
> renumber the peptide (MS1, chain B, protein is chain A and unchanged).
>
> Main: Molecule: Molecules, in the first tab (Chains), click on chain B and
> in the Fragments portion at the bottom changed Start Seq Number from 156 to
> 400. Analysis "thought" for a little while.
>
> The residue numbers on peak labels updated immediately. They are updated
> correctly in the spin systems panel, resonances panel, atom browser, and
> peak table. However, if I Show Sequence for the peptide, the old numbering
> is still there.
>
> Am I doing this wrong, is this something that can be remedied, or is this
> something inherent in the data model? I did "save as" so I have the project
> both before and after.
>
> Cheers,
> Andrew
>
>
> --
> Dr. Andrew Fowler | University of Iowa
> Associate Director | B291 Carver Biomedical Research Building
> Medical NMR Facility | Iowa City, IA 52242
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