align.h File Reference

#include <openbabel/mol.h>
#include <openbabel/math/vector3.h>
#include <openbabel/math/matrix3x3.h>
#include <openbabel/isomorphism.h>
#include <Eigen/Core>

Go to the source code of this file.

Classes
class	OBAlign

Namespaces
	OpenBabel

Detailed Description

Perform a least-squares alignment of two molecules or two vectors of vector3 objects.