Package chemaxon.marvin.calculations

Provides specific plugin, plugin loader and table form output implementations.

See:
Description

Interface Summary

StructuralFrameworksPlugin.VerbosePrinter

Verbose printer specification

Class Summary

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.
EnumerationPlugin	Deprecated. Use MarkushEnumerationPlugin
GeometryPlugin	Plugin class for geometric properties calculations.
HBDAPlugin	Plugin class for H bond acceptor/donor calculation.
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.
PredictorPlugin	Plugin class for running previously trained predictions on molecules.
RefractivityPlugin	Plugin class for refractivity calculation.
ResonancePlugin	Plugin class for finding resonant structures.
StereoisomerPlugin	Plugin class for stereoisomer calculation
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 Summary

StructuralFrameworksPlugin.FrameworkTypes

FrameworkTypes represents the available calculations

Package chemaxon.marvin.calculations Description

Provides specific plugin, plugin loader and table form output implementations.