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'.