rotor.h File Reference

Rotate torsional according to rotor rules. More...

#include "parsmart.h"
#include "typer.h"

Go to the source code of this file.

Namespaces

namespace  OpenBabel

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 rotomer searching. More...
class  OBRotorList
 Given an OBMol, set up a list of possibly rotatable torsions,. More...


Detailed Description

Rotate torsional according to rotor rules.