Open Babel: conformersearch.h File Reference

Classes | Namespaces | Typedefs

# 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.

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