Yes, zero occupancy would reflect that. But not the coordinates in any
proper way. Then what would be the point of associating occupancy and
B-factors with totally incorrect coordinates?
Debanu

On Fri, Mar 10, 2023 at 8:58 AM Jurgen Bosch <jxb...@case.edu> wrote:

> Going back to RIP phasing methods :-)
> So Harry in your particular case occupancy of zero would actually reflect
> reality for those “combusted” atoms.
>
> Jürgen
>
> > On Mar 10, 2023, at 11:56 AM, Harry Powell <
> 0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote:
> >
> > Hi folks
> >
> > One other thing that I haven’t noticed anyone mentioning yet (sorry to
> those who have mentioned it!!) is that you may not see your sidechain atoms
> in density because they are not there at all, in spite of what you may have
> had in the original protein, or even if the atoms were really there in the
> crystal _before_ exposure to the beam.
> >
> > The coordinates are supposed to be what you actually find, not what you
> hope is there.
> >
> > Just my two ha’porth
> >
> > Harry
> >
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