rotor.h File Reference

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rotor.h File Reference
`#include <openbabel/parsmart.h>`
`#include <openbabel/typer.h>`
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Go to the source code of this file.

## Classes
class | OBRotorRule
| A rule for torsional conformer searching, defined by a SMARTS pattern. More...
class | OBRotorRules
| Database of default hybridization torsional rules and SMARTS-defined OBRotorRule objects. More...
class | OBRotor
| A single rotatable OBBond as part of rotamer searching. More...
class | OBRotorList
| Given an OBMol, set up a list of possibly rotatable torsions,. More...
class | OBRotorKeys
| A class to generate all possible rotorKeys. More...
## Namespaces
namespace | OpenBabel
## Defines
#define | SQUARE(x) ((x)*(x))
## Typedefs
typedef std::vector< OBRotor * > ::iterator | OBRotorIterator

## Detailed Description

Rotate torsional according to rotor rules.

## Define Documentation

#define SQUARE | ( |  | x | ) | ((x)*(x))

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