BALL::MMFF94Torsion::MMFF94Torsion::Torsion Struct Reference

see MMFFTOR.PAR More...

#include <MMFF94Torsion.h>

List of all members.

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