Package chemaxon.marvin.calculations

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

See:
          Description

Class Summary
ChargePlugin Plugin class for charge calculation.
ElementalAnalyserPlugin Calculates molecular formula, mass, MS mass and composition.
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.
logDPlugin Plugin class for logD calculation.
logPPlugin Plugin class for logP calculation.
MajorMicrospeciesPlugin Plugin class that calculates the major microspecies on a given pH.
pKaPlugin Plugin class for macro/micro pKa calculation.
PolarizabilityPlugin Plugin class for atom polarizability calculation.
RefractivityPlugin Plugin class for refractivity calculation.
TopologyAnalyserPlugin Calculates topological data.
TPSAPlugin Plugin class for TPSA (topological polar surface area) calculation.
 

Package chemaxon.marvin.calculations Description

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