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See:
Description
Class Summary | |
ChargePlugin | Plugin class for charge calculation. |
ElementalAnalyserPlugin | Calculates molecular formula, mass, MS mass and composition. |
IonChargePlugin | Plugin class for charge calculation on ionized microspecies. |
logDPlugin | Plugin class for logD calculation. |
logPPlugin | Plugin class for logP calculation. |
pKaPlugin | Plugin class for macro/micro pKa calculation. |
PolarizationPlugin | Plugin class for atom polarization calculation. |
TPSAPlugin | Plugin class for TPSA (topological polar surface area) calculation. |
Provides specific plugin, plugin loader and table form output implementations.
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