Dear Ed,
Any post-refinement manipulation on final refined model
is bad since it tends to invalidate the reported statistics
...
Indeed, let's not add more
inconsistencies to the database because of a fear that insufficiently
trained people may misinterpret it.
I wouldn't call it a post-refinement manipulation, as nothing was really
changed (afaiu, in most cases riding hydrogens are placed automatically
by the program and not manipulated by user). On a digressing point, you
might be underestimating the problem of "misinterpretation by
insufficiently trained people".
...
This may preclude one from getting
exactly the same riding hydrogen positions (how large that difference
would be I honestly don't know). But really, who cares?
I wouldn't dare calling a model manipulation that typically changes the
R-factor by 0.5 ... ~2% as "nothing". Although, you are may be right -
"who cares"?
I think the "misinterpretation by insufficiently trained people"
problem should not be propagated to the database affecting the quality
of depositing material. This is what I meant.
Pavel.
