Package | Description |
---|---|
org.openscience.cdk | |
org.openscience.cdk.debug | |
org.openscience.cdk.pharmacophore |
Modifier and Type | Class and Description |
---|---|
class |
Association
Base class for storing interactions like hydrogen bonds and ionic interactions.
|
class |
Bond
Implements the concept of a covalent bond between two or more atoms.
|
class |
LonePair
A LonePair is an orbital primarily located with one Atom, containing
two electrons.
|
class |
SingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
Modifier and Type | Class and Description |
---|---|
class |
DebugBond
Debugging data class.
|
class |
DebugElectronContainer
Debugging data class.
|
class |
DebugLonePair
Debugging data class.
|
class |
DebugSingleElectron
Debugging data class.
|
Modifier and Type | Class and Description |
---|---|
class |
PharmacophoreAngleBond
Represents an angle relationship between three pharmacophore groups.
|
class |
PharmacophoreBond
Represents a distance relationship between two pharmacophore groups.
|
class |
PharmacophoreQueryAngleBond
Represents a pharmacophore query angle constraint.
|
class |
PharmacophoreQueryBond
Represents a pharmacophore query distance constraint.
|
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