rotor.cpp File Reference

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rotor.cpp File Reference
`#include <openbabel/babelconfig.h>`
`#include <openbabel/mol.h>`
`#include <openbabel/rotor.h>`
`#include "torlib.h"`

## Namespaces
namespace | OpenBabel
## Defines
#define | OB_DEFAULT_DELTA 10.0
## Functions
static bool | GetDFFVector (OBMol &, vector< int > &, OBBitVec &)
static bool | CompareRotor (const pair< OBBond *, int > &, const pair< OBBond *, int > &)
static double | MinimumPairRMS (OBMol &, double *, double *, bool &)

## Detailed Description

Rotate dihedral angles according to rotor rules.

## Define Documentation

#define OB_DEFAULT_DELTA 10.0

Default step resolution for a dihedral angle (in degrees)

Referenced by OBRotorRules::GetRotorIncrements(), and OBRotorRules::ParseLine().

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