stko.functional_groups

Tools for functional_groups.

Classes

CNCFactory

A subclass of ThreeSiteFactory.

CNNFactory

A subclass of ThreeSiteFactory.

NNNFactory

A subclass of ThreeSiteFactory.

ThreeSiteFG

Represents FG sites like N atom in pyridine functional group.

ThreeSiteFactory

Find ThreeSite functional groups in molecules.