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Description
Follow up from #3132
In the PDB standard a CRYST1 from a non-crystallographic system is set to [1,1,1,90,90,90], in those cases we set dimensions
to None
. For the PDBQT reader we just read whatever is in CRYST1
, we should check if the same behaviour as the PDB reader needs to be follow here. See: https://github.com/MDAnalysis/mdanalysis/pull/3132/files#r628898514
Additional task:
- Add coverage to
convert_pos_from_native
, see: https://github.com/MDAnalysis/mdanalysis/pull/3132/files#r629699881