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