Class | Description |
---|---|
BondEnergies |
Class that stores bond breaking/formation energy between two atoms.
|
ExtAtomContainerManipulator |
Class that handles some customised features for SMSD atom containers.
|
MoleculeSanityCheck |
Class that cleans a molecule before MCS search.
|
MolHandler |
Class that handles molecules for MCS search.
|
TimeManager |
Class that handles execution time of the MCS search.
|