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.
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