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Dear Christoph, On Wed, 5 Mar 2008, Christoph Brockmann wrote: > Rasmus Fogh wrote: > > Dear All, > > > > An alternative view would be that you should use Hba if you are not sure > > how many protons you have, and only use Hb* when you are sure you have > > both of them there. > > > > Anyway, we are considering getting rid of Hb* altogether, since it seems > > to be more trouble than it is worth. > > > > What do people think? > > > > Yours, > > > > Rasmus > Well, I would think this will cause some problems with restraint > generation later on, because then you would need to check for every > pro-chiral if there is an assignment for the corresponding ones to > distinguish degeneracy from situations where you have different shifts > but no stereo-specific assignments. I am not sure it would. Hb* does not actually exist in the data model - it is just a practical shorcut for saying 'there are two resonances with stereospecific asignment and the same chemical shift'. Yours, Ramus