Dear Mike,
Unfortunately I doubt it. Wim Vranken might know better, but I think we
only export full assignments, not spin system numbers (which it what this
is).
Various workarounds are possible, with some effort:
- Make a fake molecule (e.g. polyalanine), assign the spin sysem numbers
to it via a script, and export that.
- Try the table export functions (right mouse inside the table), and see
if you can hack that into something useful.
- Write a simple Python script to write the Sparky file you want directly
- Writing is much easier than reading.
- Find a way of doing whatever it is you want without using SParky - e.g.
inside Analysis.
Sorry I could not be more helpful,
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 Tue, 1 May 2012, Michael wrote:
> Hello,
>
> I have a 2D 15N, 1H spectrum that I have peak picked and "Initialized
> Root Resonances" on. I would like to export the resulting peak list
> into Sparky format using the Analysis residue information (i.e., {1},
> {2},...) for the Assignments in the Sparky list. However, no matter
> what check boxes I select, singly or in combination, in FormatConverter,
> I always get "?-?" for all the peaks in the Assignment column. Is there
> a way to use the Analysis residue as a place holder in the conversion?
>
> I am using Analysis2.1.5.
>
> Thanks, in advance for your help,
> Mike
>
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