| Interface | Description |
|---|---|
| RepresentationScheme |
This represents a representation scheme of a
LeafSubstructure. |
| Class | Description |
|---|---|
| AbstractRepresentationScheme |
This abstract implementation provide a fallback solution to compute the centroid of a
LeafSubstructure, iff
the specified representation fails. |
| AlphaCarbonRepresentationScheme |
An implementation to represent a given
LeafSubstructure by its alpha carbon. |
| BetaCarbonRepresentationScheme |
An implementation to represent a given
LeafSubstructure by its beta carbon. |
| CentroidRepresentationScheme |
An implementation to represent a given
LeafSubstructure by its centroid EXCLUDING hydrogen. |
| LastHeavySidechainRepresentationScheme |
An implementation to represent a given
LeafSubstructure by its last heavy sidechain atom (the atom most
far from the alpha carbon). |
| RepresentationSchemeFactory |
A factory for creating implementations of
RepresentationSchemes. |
| SideChainCentroidRepresentationScheme |
An implementation to represent a given
LeafSubstructure by its sidechain centroid. |
| Enum | Description |
|---|---|
| RepresentationSchemeType |
Defines the types for which adequately
RepresentationSchemes are defined. |
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