Package | Description |
---|---|
org.openscience.cdk.isomorphism.matchers | |
org.openscience.cdk.pharmacophore |
Modifier and Type | Class and Description |
---|---|
class |
QueryAtom |
class |
QueryAtomContainer |
class |
QueryBond
Implements the concept of a "query bond" between two or more atoms.
|
class |
RGroupQuery
Represents information contained in a Symyx RGfile (R-group query file).
It contains a root structure (the scaffold if you like), a map with R-group definitions (each of which can contain multiple substitutes) and a map with attachment points. |
class |
SymbolChargeIDQueryAtom |
Modifier and Type | Class and Description |
---|---|
class |
PharmacophoreQuery
Represents a colleciton of pharmacophore groups and constraints.
|
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