ZincIon Class Reference

#include <Ions.h>

Inheritance diagram for ZincIon:

List of all members.

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Detailed Description

Zn²⁺ zinc ion with +2 charge.

Public Member Functions
	ZincIon ()
Static Public Member Functions
static void	instantiateBiotypes ()
static void	setAmberLikeParameters (TinkerDuMMForceFieldSubsystem &dumm)

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Constructor & Destructor Documentation

ZincIon

(

)

[inline]

References Biotype::get(), ZincIon::instantiateBiotypes(), Compound::setBaseAtom(), Compound::setCompoundName(), and Compound::setPdbResidueName().

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Member Function Documentation

static void instantiateBiotypes

(

)

[inline, static]

References Biotype::defineBiotype(), and Biotype::exists().

Referenced by ZincIon::setAmberLikeParameters(), and ZincIon::ZincIon().

static void setAmberLikeParameters

(

TinkerDuMMForceFieldSubsystem &

dumm

)

[inline, static]

References DuMMForceFieldSubsystem::defineAtomClass_KA(), DuMMForceFieldSubsystem::defineChargedAtomType(), Biotype::get(), DuMMForceFieldSubsystem::getAtomClassIndex(), DuMMForceFieldSubsystem::getChargedAtomTypeIndex(), Biotype::getIndex(), DuMMForceFieldSubsystem::getNextUnusedAtomClassIndex(), DuMMForceFieldSubsystem::getNextUnusedChargedAtomTypeIndex(), DuMMForceFieldSubsystem::hasAtomClass(), DuMMForceFieldSubsystem::hasChargedAtomType(), ZincIon::instantiateBiotypes(), and DuMMForceFieldSubsystem::setBiotypeChargedAtomType().

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The documentation for this class was generated from the following file:

• Ions.h