Hello,
I am playing with ccp4's reforigin to verify some MR solutions.
If I translate a copy of the pdb.org's PDB 2FKA (from spacegroup F432)
by +/-0.5 fractional in any unit cell direction, then reforigin will
find back this translation and consider it as valid for this spacegroup.
But for this spacegroup I should find only (0,0,0) or (1/2,1/2,1/2)
as possible alternate origins.
Does this mean that I can't trust reforigin and that I must filter
out its results to retain only the valid ones?
Thanks,
Francois.
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