RxDock: rxdock::Cavity Class Reference

RxDock 0.1.0

A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids

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Public Member Functions
	Cavity (const CoordList &coordList, const Vector gridStep)

	Cavity (json j)

virtual void	Print (std::ostream &s) const

RealGridPtr	GetGrid () const

const Coord &	GetCenterOfMass () const

const PrincipalAxes &	GetPrincipalAxes () const

int	GetNumCoords () const

const CoordList &	GetCoordList () const

const Coord &	GetMinCoord () const

const Coord &	GetMaxCoord () const

const Vector &	GetGridStep () const

double	GetVolume () const

Friends
std::ostream &	operator<< (std::ostream &s, const Cavity &cavity)

void	to_json (json &j, const Cavity &c)

void	from_json (const json &j, Cavity &c)

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

Public Member Functions