residue.cpp File Reference

Handle macromolecule residues. More...

#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 dependency graph for residue.cpp:


Namespaces

namespace  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]
unsigned int ResNo = MINRES
unsigned int ElemNo = MINELEM

Detailed Description

Handle macromolecule residues.