Hi,
Two observations:
1/ By careless peak selection and use of the function that sets the
sequential spin systems, we managed to convince a spin system that it was
sequentially connected to itslef - surely this should be impossible in
general? (Maybe not in the most general sense where a large enough
"monomer" could make a cyclic polymer with itself). Once the spin system
assignmenmt was removed from the offending resonances - reapplication of
the function to more carefully selected peaks continued to use the self
spinsystem rather than creating a new spin system as usual. Perusal of
the spin system popup did not seem to allow the problem to be addressed.
We managed to crash analysis (for another reason) without saving the
project before we were able to determine whether we could sort things out
either through the general editor or by assigning the resonances to their
conected spin system.
2/ Sequential connectivities..... I get the usage described in the
advanced tutorial but I was hoping that I might be able to use sequential
connectivities like this e.g.:
pick HNCO peak and set i and i-1 spin systems using the set sequential
spin systems function.
at some later time find the corresponding HNCACO peak that I have already
assigned a (different) spin system to.
merge either the (CO resonances) or (the i-1 spin system and the one from
the corresponding peak) and have the connectivity information preserved.
Unfortunately, whether I merge spin systems or resonances (spin systems
seems to me to be the more sensible level to do it at), the connectivity
information seems to be lost. Perhaps there are too many possible
ambiguities/connection issues to resolve for this to be practcal? I'll
see if I can work out what the merging code does.
I think that this might be a nice feature to allow more flexible working
methods and also in interfacing with (semi-)automatic assignement
algorithms.
Brian
--
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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