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

Detailed Description

Handle rotamer list data.


Define Documentation

#define OB_TITLE_SIZE   254
#define OB_BINARY_SETWORD   32
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