optransform.h File Reference

Operations to change molecules using a datafile of chemical transformations OBChemTsfm. More...

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/phmodel.h>
#include <openbabel/op.h>
#include <vector>

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Namespaces
namespace	OpenBabel
Classes
class	OpTransform
	Applies molecular transforms (OBChemTsfm class) read from a datafile. More...

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Detailed Description

Operations to change molecules using a datafile of chemical transformations OBChemTsfm.