See: Description
| Interface | Description |
|---|---|
| HlbPlugin |
Calculates hydrophilic-lipophilic balance (HLB) of a molecule.
|
| StructuralFrameworksPlugin.VerbosePrinter |
Verbose printer specification
|
| Class | Description |
|---|---|
| AlignmentPlugin |
Plugin layer for the
AlignmentAPI |
| ChargePlugin |
Plugin class for partial charge calculation.
|
| ConformerPlugin |
Plugin class for conformer calculation.
|
| ElementalAnalyserPlugin |
Calculates molecular formula, mass, MS mass and composition.
|
| GeometryPlugin |
Plugin class for geometric properties calculations.
|
| HBDAPlugin |
Plugin class for H bond acceptor/donor calculation.
|
| HlbPlugin.Builder |
Builder class for HlbPlugin.
|
| HuckelAnalysisPlugin |
Plugin class for Huckel Analysis calculation.
|
| IonChargePlugin |
Plugin class for charge calculation on ionized microspecies.
|
| IsoelectricPointPlugin |
Plugin class for isoelectric point and pH - charge distribution calculation.
|
| IUPACNamingPlugin |
IUPAC name generator plugin.
|
| logDPlugin |
Plugin class for logD calculation.
|
| logPPlugin |
Plugin class for logP calculation.
|
| MajorMicrospeciesAccessorPlugin |
Common base class for all plugins with possible major microspecies input.
|
| MajorMicrospeciesPlugin |
Plugin class that calculates the major microspecies on a given pH.
|
| MarkushEnumerationPlugin |
Plugin class for enumerating Markush molecules.
|
| MolecularDynamicsPlugin |
Molecular Dynamics plugin.
|
| MSAPlugin |
Plugin class for molecular surface area calculation.
|
| OrbitalElectronegativityPlugin |
Plugin class for orbital electronegativity calculation.
|
| pKaPlugin |
Plugin class for macro/micro pKa calculation.
|
| PolarizabilityPlugin |
Plugin class for atom polarizability calculation.
|
| RefractivityPlugin |
Plugin class for refractivity calculation.
|
| ResonancePlugin |
Plugin class for finding resonant structures.
|
| StereoisomerPlugin | Deprecated |
| StructuralFrameworksPlugin |
Plugin class to calculate Bemis-Murcko and other structural scaffolds of input
molecules.
|
| TautomerizationPlugin |
Plugin class for generating tautomer structures.
|
| TopologyAnalyserPlugin |
Calculates topological data.
|
| TPSAPlugin |
Plugin class for TPSA (topological polar surface area) calculation.
|
| Enum | Description |
|---|---|
| StructuralFrameworksPlugin.FrameworkTypes |
FrameworkTypes represents the available calculations
|