rotamer.h File Reference

Handle rotamer list data. More...

#include <vector>
#include <map>
#include <openbabel/mol.h>
#include <openbabel/rotor.h>
#include <openbabel/generic.h>

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Namespaces
namespace	OpenBabel
Classes
class	OBRotamerList
	Supports a set of rotamer coordinate sets for some number of potentially rotatable bonds. More...
Functions
int	Swab (int)

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Detailed Description

Handle rotamer list data.