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