biotite.structure.info.bond_type¶

biotite.structure.info.bond_type(res_name, atom_name1, atom_name2)[source]¶

Get the BondType for two atoms of the same residue, based on the PDB chemical components dictionary.

Parameters

res_namestr: The up to 3-letter name of the residue atom_name1 and atom_name2 belong to.
atom_name1, atom_name2str: The names of the two atoms to get the bond order from.

Returns

orderBondType or None: The BondType of the bond between atom_name1 and atom_name2. If the atoms form no bond, if any of the two atoms does not exist in the context of the residue or if the residue is unknown to the chemical components dictionary, None is returned.

Examples

>>> print(bond_type("PHE", "CA", "CB"))
BondType.SINGLE
>>> print(bond_type("PHE", "CG", "CD1"))
BondType.AROMATIC_DOUBLE
>>> print(bond_type("PHE", "CA", "CG"))
None
>>> print(bond_type("PHE", "FOO", "BAR"))
None