Hi Ethan,
I do not favor depositing riding hydrogen coordinates for
the same reason that I do not like the recent PDB preference
for depositing ANISOU records for structures that have been
refined with TLS.
In both cases the enumeration of these many thousands of
parameter values gives the strong, but false, impression that
they have been individually modeled. They have not.
following this logic one could say that the individual x,y,z coordinates
listed in ATOM records for a structure refined at very low resolution
using rigid-body refinement only (or torsion angle Simulated Annealing
only) also may make a false impression that these coordinates were
refined individually.
Pavel.
