Package | Description |
---|---|
org.openscience.smsd | |
uk.ac.ebi.reactionblast.mapping.helper |
Modifier and Type | Class and Description |
---|---|
class |
BaseMapping |
class |
Isomorphism
This class implements the Isomorphism- a multipurpose structure comparison
tool.
|
class |
Substructure
This is an ultra fast method to report if query is a substructure for target
molecule.
|
Modifier and Type | Method and Description |
---|---|
protected void |
Debugger.printGraphMatching(IAtomMapping comparison,
org.openscience.cdk.interfaces.IAtomContainer mol1,
org.openscience.cdk.interfaces.IAtomContainer mol2)
Print Graph matching solutions
|