conformersearch.h File Reference

Conformer searching using genetic algorithm. More...

#include <openbabel/mol.h>
#include <openbabel/rotor.h>
#include <openbabel/rotamer.h>

Go to the source code of this file.

Classes
class	OBConformerFilter
	Interface used by OBConformerSearch for filtering conformers. More...
class	OBConformerFilters
	Class for combining OBConformerFilter objects. More...
class	OBStericConformerFilter
	A steric conformer filter class. More...
class	OBConformerScore
	Interface used by OBConformerSearch for scoring conformers. More...
class	OBRMSDConformerScore
	A RMSD conformer scoring class. More...
class	OBEnergyConformerScore
	A lowest energy conformer scoring class. More...
class	OBConformerSearch
	Conformer searching using genetic algorithm. See Conformer Searching. More...
Namespaces
namespace	OpenBabel
Typedefs
typedef std::vector< int >	RotorKey
typedef std::vector< RotorKey >	RotorKeys

---

Detailed Description

Conformer searching using genetic algorithm.