BALL::MMFF94StretchBend::Bend Struct Reference

see MMFFANG.PAR More...

#include <BALL/MOLMEC/MMFF94/MMFF94StretchBend.h>

Public Member Functions
	Bend ()

Public Attributes
double	theta0
double	delta_theta
double	theta
double	ka
Atom *	atom1
Atom *	atom2
Atom *	atom3
bool	is_linear
Position	ATIJK
double	energy
bool	emperical
TVector3< double >	n1
TVector3< double >	n2

Detailed Description

see MMFFANG.PAR

Definition at line 41 of file MMFF94StretchBend.h.

Constructor & Destructor Documentation

BALL::MMFF94StretchBend::Bend::Bend

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Member Data Documentation

Position BALL::MMFF94StretchBend::Bend::ATIJK

Definition at line 53 of file MMFF94StretchBend.h.

Atom* BALL::MMFF94StretchBend::Bend::atom1

Definition at line 49 of file MMFF94StretchBend.h.

Atom* BALL::MMFF94StretchBend::Bend::atom2

Definition at line 50 of file MMFF94StretchBend.h.

Atom* BALL::MMFF94StretchBend::Bend::atom3

Definition at line 51 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::delta_theta

Definition at line 46 of file MMFF94StretchBend.h.

bool BALL::MMFF94StretchBend::Bend::emperical

Definition at line 55 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::energy

Definition at line 54 of file MMFF94StretchBend.h.

bool BALL::MMFF94StretchBend::Bend::is_linear

Definition at line 52 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::ka

Definition at line 48 of file MMFF94StretchBend.h.

TVector3<double> BALL::MMFF94StretchBend::Bend::n1

Definition at line 56 of file MMFF94StretchBend.h.

TVector3<double> BALL::MMFF94StretchBend::Bend::n2

Definition at line 56 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::theta

Definition at line 47 of file MMFF94StretchBend.h.

double BALL::MMFF94StretchBend::Bend::theta0

Definition at line 45 of file MMFF94StretchBend.h.