hi Marie,
it might be fairly easy to do this on the cyana side
via something like the translate macro in cyana.
in the simplest case it would just translate Val Cga
to CG1 and Cgb to CG2 for example (if that's what you want,
I can't determine exactly from your description, and I don't
know how your input looks like.)
you would be able to read in the files in ccpn nomenclature
and translate them back to cyana nomencature after reading.
let me know it you need help
Eiso
Marie Phelan wrote:
> Hi
>
> I have come across a problem concerning the import of peaks and shifts
> from CYANA into an existing project.
>
> The idea is that I have prepared my NOESY peaks (root assigned) in
> analysis, exported via format converter into CYANA where the indirect
> component is assigned and then import these peaks (and shifts) back into
> the project.
>
> I found that it was essential to import the new shift list (created by
> CYANA) along with the peak list as CYANA swaps the ambiguous methyl
> groups of Val and Leu (in some cases) essentially reassigning them so
> what was VCga-VHga becomes VCgb-VHgb etc. My project contains fully
> assigned TOCSY etc so now the delta and SD for my methyls are huge and
> of course the chemical shift reported corresponds to neither VCga or
> VCgb but an average of the two.
>
> Ultimately I would like a complete project containing my original data
> plus the NOESY assignments imported from CYANA that I could offer to the
> EBI guys for trials of their pdb/bmrb submission system. What would be
> the least complicated route for reassigning either the NOESY methyls or
> the original data so that for each V and L methyl 'a' peaks are all
> attached to one methyl resonance and methyl 'b' peaks are attached to
> another and not a mixture of both,
>
> cheers
>
> Marie Phelan
>
> Joseph Black Building
> Kings Buildings
> West Mains Road
> Edinburgh
> EH9 3JJ
> 0131 6504704
>
|