OETorsion

struct OETorsion

An object to contain the information necessary to represent a torsion: a 3D rotation around the vector defined by the coordinates of a2 and a3 and an angle defined by a1 and a4. The angle is stored in radians instead of degrees

See also

• OEGetTorsions

• OEConfBase::SetTorsion

• OEMCMolBase::NewConf

• OESzybki::SetTorsionConstraint

Constructors

OETorsion()
OETorsion(OEAtomBase *a1, OEAtomBase *a2, OEAtomBase *a3, OEAtomBase *a4,
          double rads)

Construct a torsion object containing 4 atoms and an angle in radians.