On 04/12/2021 08:29, Yuqi Zhang wrote:
Hi, all!
I met a problem when I upload the PDB file to wwPDB. There is an error about
the occupancy was larger than 1. So I checked the model in COOT. There are many
atoms whose occupancy was 2 or 3. How to reset occupancy from 2 or 3 to 1? Can
someone tell me the reason and help me?
Something like
Calculate → Scripting → Python
set_occupancy_residue_range(0, "A", 1, 101, 1.0) # imol, chain-id,
resno-start, resno-end, occ
It is an oversight of mine that this is not in the documentation - I
will address that.
Paul.
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