On Thu, 20 Oct 2005, Mark Pfuhl wrote:
> When I try to convert ansig peak lists with format converter I get the peaks
> in analysis OK but the assignments have disappeared. I tried to convert the
> sequence before doing the peaks but that didn't help either.
Did you run linkResonances? You will definitely need the sequence loaded
as well. I recently used Import -> Single files -> Project file ->
Ansig to load an ANSIG project successfully (You also need to "export"
the crosspeaks from ANSIG first). As part of the process you have to go
through the linkResonances bit.
One caveat is that if your ANSIG control file & spectrum decription file
together specify a path to data that is no longer valid, then
analysis/formatConverter may hang on startup with the saved project. If
this is the case see the thread discussing this previously.
The part of linkResonances that I find a bit confusing is the part where
you choose the part of the data model sequence to associate with the ANSIG
assigned sequence. I think I am right in saying that you just choose the
first assigned residue in your sequence on the data model side and the
fragment containing the corresponding ANSIG assignment from the imported
assignments side and everything comes out in the wash. formatConverter
can get a little tetchy about "odd" assignments in ANSIG (convenience ones
that don't fall in the real sequence for example), but mostly peaks
carrying such assignments get grouped to resonances (which you need to go
in and tidy up). Of course ANSIG does not really have the concept of
multiple molecules within the sequence file format, so if you have a
complex you may have a lot of fun!
In earlier releases it has been the case that formatConverter works more
happily standalone rather than run from analysis. Dunno if that's true
still. If you're not loading the whole project, but are associating the
crosspeaks with their spectral data (rather than just putting something
together for deposition, say) it has also been the case in earlier
releases that it is best to load the spectra into a project with analysis;
save it & exit; open with formatConverter and load the crosspeaks
(associating them with the spectra as you go). Again this may be
out-of-date advice for the latest release.
--
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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