Simon,
You should always include H atoms in refinement whatever the resolution,
I can't think of any reason for not doing so. They are not refined
independently but 'ride' on the parent atom, so don't contribute to the
parameter and restraint counts, and as you say it is essential that they
are i
Dear ccp4bb,
I have heard from many people that molprobity is the gold standard as
far as validation is concerned. As I am just about to deposit a
structure I therefore figured it was best to use molprobity in guiding
the final stages of my refinement. I do not have enough data to
justify
