LigandDroplet Class Reference

#include <LigandDroplet.h>

Inheritance diagram for LigandDroplet:

List of all members.

Public Member Functions
	LigandDroplet (CompoundSystem &system, TinkerDuMMForceFieldSubsystem &dumm, GeneralForceSubsystem &forces, Vec3 dropletCenter=Vec3(0, 0, 0), float dropletRadius=2.50, float arista=1.6)

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Constructor & Destructor Documentation

LigandDroplet	(	CompoundSystem &	system,
		TinkerDuMMForceFieldSubsystem &	dumm,
		GeneralForceSubsystem &	forces,
		Vec3	dropletCenter = Vec3(0,0,0 ),
		float	dropletRadius = 2.50,
		float	arista = 1.6
	)			[inline]

References CompoundSystem::adoptCompound(), Compound::calcDefaultAtomLocationInGroundFrame(), Compound::getAtomName(), Compound::getNAtoms(), CompoundSystem::getNumCompounds(), fkinkryx::i, k, Compound::setPdbChainId(), Compound::setPdbResidueName(), Compound::setPdbResidueNumber(), and CompoundSystem::updCompound().

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

• LigandDroplet.h