IMP::atom::Dihedral Class Reference

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Detailed Description

A particle that describes a dihedral angle between four particles.

An Angle decorator is a simple container of four particles, together with an ideal value (in radians) for the angle, a multiplicity and a stiffness.

Note that multiple Dihedral particles can exist for the same set of four particles. (For example, the CHARMM forcefield allows for multiple dihedrals to exist with different multiplicities.)

See also:

CHARMMParameters::generate_dihedrals(), CHARMMTopology::add_impropers(), DihedralSingletonScore, ImproperSingletonScore.

Inheritance diagram for IMP::atom::Dihedral:

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Public Member Functions
	Dihedral (::IMP::Particle *p)
Float	get_ideal () const
Int	get_multiplicity () const
Particle *	get_particle (unsigned int i) const
	Get the ith particle in the dihedral.
Particle *	get_particle () const
Float	get_stiffness () const
void	set_ideal (Float t)
void	set_multiplicity (Int t)
void	set_stiffness (Float t)
Static Public Member Functions
static Dihedral	decorate_particle (::IMP::Particle *p)
static FloatKey	get_ideal_key ()
static IntKey	get_multiplicity_key ()
static ParticleKey	get_particle_key (unsigned int i)
static FloatKey	get_stiffness_key ()
static bool	particle_is_instance (Particle *p)
	Return true if the particle is a dihedral.
static Dihedral	setup_particle (Particle *p, core::XYZ a, core::XYZ b, core::XYZ c, core::XYZ d)
	Create a dihedral with the given particles.

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The documentation for this class was generated from the following files:

• angle_decorators.h
• atom/__init__.py