OEIsMacrocycle

OEIsMacrocycle(mol: Union[OEGraphMol,OEMol,OEQMol], minSize: int = 10) -> bool

Checks if the specified molecule is a macrocycle. The second argument refers to the minimum number of atoms required to be in a ring for the molecule to be treated as a macrocycle molecule. By default, a molecule is defined as macrocycle when it contains a 10-membered or larger ring, regardless of aromaticity and heteroatom content. For example, large cyclic alkanes, annulenes, crown ethers, and porphyrins are all macrocycles.

See also