residue.cpp File Reference

#include <cstring>
#include <openbabel/babelconfig.h>
#include <openbabel/residue.h>
#include <openbabel/atom.h>
#include <openbabel/oberror.h>
#include <openbabel/bitvec.h>
#include <openbabel/bond.h>
#include <cstdlib>

Namespaces
	OpenBabel

Functions
static unsigned int	GetAtomIDNumber (const char *atomid)
static unsigned int	GetResidueNumber (const char *res)
static void	SetResidueKeys (const char *residue, unsigned int &reskey, unsigned int &aakey)

Variables
char	Residue [MAXRES][4]
char	ElemDesc [MAXELEM][4]

Detailed Description

Handle macromolecule residues.