BALL::MMFF94Torsion::Torsion Struct Reference

see MMFFTOR.PAR More...

#include <BALL/MOLMEC/MMFF94/MMFF94Torsion.h>

List of all members.

Public Member Functions
	Torsion ()
Public Attributes
Index	type
Atom::StaticAtomAttributes *	atom1
Atom::StaticAtomAttributes *	atom2
Atom::StaticAtomAttributes *	atom3
Atom::StaticAtomAttributes *	atom4
double	v1
double	v2
double	v3
double	energy
double	angle
bool	heuristic

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Detailed Description

see MMFFTOR.PAR

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Constructor & Destructor Documentation

BALL::MMFF94Torsion::Torsion::Torsion

(

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Member Data Documentation

double BALL::MMFF94Torsion::Torsion::angle

Atom::StaticAtomAttributes* BALL::MMFF94Torsion::Torsion::atom1

Atom::StaticAtomAttributes* BALL::MMFF94Torsion::Torsion::atom2

Atom::StaticAtomAttributes* BALL::MMFF94Torsion::Torsion::atom3

Atom::StaticAtomAttributes* BALL::MMFF94Torsion::Torsion::atom4

double BALL::MMFF94Torsion::Torsion::energy

bool BALL::MMFF94Torsion::Torsion::heuristic

Index BALL::MMFF94Torsion::Torsion::type

double BALL::MMFF94Torsion::Torsion::v1

double BALL::MMFF94Torsion::Torsion::v2

double BALL::MMFF94Torsion::Torsion::v3