Package chemaxon.marvin.calculations
Provides specific plugin, plugin loader and table form output implementations.
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Interface Summary Interface Description HlbPlugin Calculates hydrophilic-lipophilic balance (HLB) of a molecule.StructuralFrameworksPlugin.VerbosePrinter Verbose printer specification -
Class Summary Class Description AlignmentPlugin Plugin layer for theAlignmentAPI
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 Summary Enum Description ElementalAnalyserPlugin.ResultType Represents the different result types of the elemental analyser plugin.StructuralFrameworksPlugin.FrameworkTypes FrameworkTypes represents the available calculations