Package com.actelion.research.chem

Interface Summary

Interface	Description
MoleculeFilter
MutationBiasProvider
StructureSearchController
StructureSearchDataSource

Class Summary

Class	Description
AbstractDepictor
AbstractDepictor.DepictorDot
AbstractDepictor.DepictorLine
AbstractDrawingObject
AromaticityResolver
AtomComparator
AtomFunctionAnalyzer
AtomTypeCalculator
AtomTypeList
Canonizer
CanonizerBaseValue
CanonizerMesoHelper
CanonizerUtil
CanonizerUtil.StrongHasher	64 bit hash, derived from numerical recipes Will move this class later to dd_core.
ChemistryHelper
Clusterer<T>
Coordinates	Class to encapsulate 3D coordinates
Depictor
Depictor2D
DepictorTransformation
DiversitySelector
DrawingObjectFactory
DrawingObjectList
Element
ExtendedDepictor
ExtendedMolecule	While the Molecule class covers all primary molecule information as atom and bond properties, the atom connectivity and coordinates, its derived class ExtendedMolecule handles secondary, i.e.
ExtendedMoleculeFunctions	ExtendedMoleculeFunctions
IDCodeParser
IDCodeParserWithoutCoordinateInvention	Typically you should use IDCodeParser instead of this class.
IsomericSmilesCreator
IsotopeHelper
MarkushStructure
MolecularFormula
Molecule
Molecule3D
Molecule3DFunctions
MoleculeNeutralizer
MoleculeStandardizer	MoleculeStandardizer
MolfileCreator
MolfileParser
MolfileV3Creator	This class generates an MDL molfile version 3.0 from a StereoMolecule as described by MDL in 'CTFile Formats June 2005'.
Mutation
Mutator
NamedSubstituents
NastyFunctionDetector
PeriodicTable
PropertyCalculator
RingCollection
ScaffoldHelper
SDFileMolecule
SimpleCanonizer
SmilesCreator
SmilesParser
SortedStringList
SSSearcher
SSSearcherWithIndex
StereoIsomerEnumerator
StereoMolecule
StructureInfo
StructureSearch
StructureSearchSpecification
StructureTransferData
SubstructureFilter
SVGDepictor
TautomerHelper
TextDrawingObject
UniqueStringList

Enum Summary

Enum	Description
CanonizerUtil.IDCODE_TYPE