rotamer.cpp File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/ring.h>
#include <openbabel/obiter.h>
#include <openbabel/rotamer.h>

Namespaces
	OpenBabel

Macros
#define	OB_TITLE_SIZE   254
#define	OB_BINARY_SETWORD   32

Functions
double	rint (double x)
void	SetRotorToAngle (double *c, OBAtom **ref, double ang, vector< int > atoms)
int	Swab (int)
int	PackCoordinate (double c[3], double max[3])
void	UnpackCoordinate (double c[3], double max[3], int tmp)

Variables
static int	SINT = 0x00000001
static unsigned char *	STPTR = (unsigned char*)&SINT

Detailed Description

Handle rotamer list data.

Macro Definition Documentation

OB_TITLE_SIZE

#define OB_TITLE_SIZE   254

OB_BINARY_SETWORD

#define OB_BINARY_SETWORD   32