[phenixbb] "H" atom refining occupancy with previous altconf residue in sequence
nechols at lbl.gov
Fri Oct 26 13:17:45 PDT 2012
On Fri, Oct 26, 2012 at 1:07 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
> I did not look closely yet but my understanding is that its position is
> dictated by the next to it residue that has non-blank altlocs, and therefore
> this hydrogen inherits the conformers. So this behavior is expected. I hoped
> Jeff will comment on this as he was the first who explained it to me.
This explains the behavior of phenix.ready_set, but not the change to
occupancy made by phenix.refine.
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