Read assemblies from PDB/MMTF files and symmetry mates from PDB files #450
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This PR adds
get_assembly()
andlist_assemblies()
tostructure.io.pdb
andstructure.io.mmtf
analogous to the functions instructure.io.pdbx
.In addtion, it adds
get_symmetry_mates()
tostructure.io.pdb
.As foundation for the changes in
structure.io.pdb
PDBFile
now also offers theget_remark()
method to parseREMARK
records.
Furthermore, a
MemoryError
issue instructure.repeat_box()
, that appeared on structures with associatedBondList
, was fixed.