jklustor-all-api-0.0.7-20140619012755 (ChemAxon)


Package com.chemaxon.descriptors.alignment

3D flexible alignment based molecular shape similarity calculation.

See:
          Description

Interface Summary
DRShapeDescriptor Descriptor (serialized data) for the Distance range assisted shape alignment comparison.
FlexibilityModeParameterBuilder  
ShapeComparator<T extends ShapeDescriptor>  
ShapeComparisonResult Flexible alignment based shape descriptor calculation
ShapeDescriptor  
 

Class Summary
AbstractShapeComparator<T extends ShapeDescriptor>  
AbstractShapeGenerator<D extends ShapeDescriptor,P extends AbstractShapeGeneratorParameter>  
AbstractShapeGeneratorParameter Helper class without the requested getDescriptorGenerator method.
BaseShapeComparatorParameter  
 

Enum Summary
AtomTyping Settings for shape associated atom typing.
DRShapeMetrics Metrics for distance range assisted shape comparison.
ShapeFunction  
ShapeMetrics  
 

Exception Summary
ShapeComparatorException  
ShapeGeneratorException  
 

Package com.chemaxon.descriptors.alignment Description

3D flexible alignment based molecular shape similarity calculation.

Author:
Adrian Kalaszi

jklustor-all-api-0.0.7-20140619012755 (ChemAxon)