[phenixbb] dummy atom v.s. model with zero occupancy.
Pavel Afonine
pafonine at lbl.gov
Sat Apr 20 20:45:45 PDT 2013
Hi Lithlin,
> In phenix, in order to improve bulk solvent model when the model is
> not complete, you can add dummy atom and set
> "refinement.mask.ignore_zero_occupancy_atoms=False".
correct. This will not let bulk-solvent into that area and therefore it
will make missing bits more visible.
> My question is that can I just put a model ( I know the approximate
> position for the model) there instead of dummy atoms and set all atoms
> in the model zero occupancy and keep the same setting.
>
> Will I get the same result?
Yes.
> I suspect that model will still be used to calculate the Fc even
> though the occupancy is zero, so the map will be severely model biased.
Sorry, I understood this part..
All the best,
Pavel
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