Class | Description |
---|---|
AtomContainerSetComparator |
GraphAtomContainer Comparator
|
BasicDebugger | |
CDKSMILES | |
CreateDirectory | |
Distance | |
EBIMatrix |
Jama = Java EBIMatrix class.
|
EBIMolSplitter | |
ExtAtomContainerManipulator |
Class that handles some customised features for atom containers.
|
ExtReactionManipulatorTool | |
ImageGenerator | |
LayoutCheck | |
MappingUtility | |
ReactionSimilarityTool |
This tool finds reaction similarity and distance based on our in-house scoring functions The similarity score can be
further weight by alpha and beta factor coding for bond change and structure weight respectively
|
Reader | |
StandardizeReaction | |
TestUtility | |
ValencyCalculator |