Hi there,
I'm just curious. Does anyone know why we are setting the space group to P1
here in fillUC?
https://github.com/openbabel/openbabel/blame/master/src/ops/fillUC.cpp#L269
I was just wondering because, when we do something like "obabel mycif.cif
-opdb --fillUC strict", the pdb file will always say it is of space group
P1, which is probably not the case...
Thanks,
Patrick
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