Currently you can add a bond to BondList, that connects an atom with itself. This should never be possible.
Tangentially, pdbx.set_structure() does not check atom uniqueness when writing the chem_comp_bond category: If an AtomArray connects two atoms that are equal in all annotations relevant for chem_comp_bond, The resulting chem_comp_bond category will contain a self-bond for these two atoms.
Currently you can add a bond to
BondList, that connects an atom with itself. This should never be possible.Tangentially,
pdbx.set_structure()does not check atom uniqueness when writing thechem_comp_bondcategory: If anAtomArrayconnects two atoms that are equal in all annotations relevant forchem_comp_bond, The resultingchem_comp_bondcategory will contain a self-bond for these two atoms.