BALL::MMFF94Torsion::Torsion Struct Reference

see MMFFTOR.PAR More...

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

Public Member Functions
	Torsion ()

Public Attributes
Index	type
Atom *	atom1
Atom *	atom2
Atom *	atom3
Atom *	atom4
double	v1
double	v2
double	v3
double	energy
double	angle
bool	heuristic

Detailed Description

see MMFFTOR.PAR

Definition at line 33 of file MMFF94Torsion.h.

Constructor & Destructor Documentation

BALL::MMFF94Torsion::Torsion::Torsion

(

)

Member Data Documentation

double BALL::MMFF94Torsion::Torsion::angle

Definition at line 45 of file MMFF94Torsion.h.

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

Definition at line 38 of file MMFF94Torsion.h.

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

Definition at line 39 of file MMFF94Torsion.h.

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

Definition at line 40 of file MMFF94Torsion.h.

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

Definition at line 41 of file MMFF94Torsion.h.

double BALL::MMFF94Torsion::Torsion::energy

Definition at line 44 of file MMFF94Torsion.h.

bool BALL::MMFF94Torsion::Torsion::heuristic

Definition at line 46 of file MMFF94Torsion.h.

Index BALL::MMFF94Torsion::Torsion::type

Definition at line 37 of file MMFF94Torsion.h.

double BALL::MMFF94Torsion::Torsion::v1

Definition at line 42 of file MMFF94Torsion.h.

double BALL::MMFF94Torsion::Torsion::v2

Definition at line 42 of file MMFF94Torsion.h.

double BALL::MMFF94Torsion::Torsion::v3

Definition at line 42 of file MMFF94Torsion.h.