TorsionAngle.h File Reference

#include <ForceField/Contrib.h>
#include <GraphMol/Atom.h>

Go to the source code of this file.

Namespaces
namespace	RDGeom
namespace	ForceFields
namespace	ForceFields::UFF
namespace	ForceFields::UFF::Utils
Classes
class	ForceFields::UFF::TorsionAngleContrib
	the torsion term for the Universal Force Field More...
Functions
double	ForceFields::UFF::Utils::calculateCosTorsion (const RDGeom::Point3D &p1, const RDGeom::Point3D &p2, const RDGeom::Point3D &p3, const RDGeom::Point3D &p4)
	calculates and returns the cosine of a torsion angle

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