src

rotamer.h File Reference

Handle rotamer list data. More...

#include <vector>
#include <map>
#include <fstream>
#include "mol.h"
#include "rotor.h"
#include "generic.h"

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Namespaces

namespace  OpenBabel

Classes

class  OBRotamerList
 Supports a set of rotomer coordinate sets for some number of potentially rotatable bonds. More...

Functions

int Swab (int i)

Detailed Description

Handle rotamer list data.