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#Org.openscience.cdk.smsd.tools Classes and Interfaces - 5 results found.
NameDescriptionTypePackageFramework
BondEnergiesClass that stores bond breaking/formation energy between two atoms.Classorg.openscience.cdk.smsd.toolsCDK
ExtAtomContainerManipulatorClass that handles some customised features for SMSD atom containers.Classorg.openscience.cdk.smsd.toolsCDK
MoleculeSanityCheckClass that cleans a molecule before MCS search.Classorg.openscience.cdk.smsd.toolsCDK
MolHandlerClass that handles molecules for MCS search.Classorg.openscience.cdk.smsd.toolsCDK
TimeManagerClass that handles execution time of the MCS search.Classorg.openscience.cdk.smsd.toolsCDK