rotamer.cpp File Reference

Handle rotamer list data. More...

#include <openbabel/babelconfig.h>
#include <openbabel/rotamer.h>

Namespaces
namespace	OpenBabel
Defines
#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

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Detailed Description

Handle rotamer list data.

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Define Documentation

#define OB_TITLE_SIZE   254

#define OB_BINARY_SETWORD   32