IMP  2.0.0
The Integrative Modeling Platform
IMP::modeller::MultipleBinormalRestraint Class Reference

Modeller-style multiple binormal (phi/psi) restraint. More...

#include <IMP/modeller/MultipleBinormalRestraint.h>

+ Inheritance diagram for IMP::modeller::MultipleBinormalRestraint:

Public Member Functions

 MultipleBinormalRestraint (const ParticleQuad &q1, const ParticleQuad &q2)
 Create the multiple binormal restraint. More...
 
void add_term (const BinormalTerm &term)
 Add a single BinormalTerm to the restraint.
 
 IMP_RESTRAINT (MultipleBinormalRestraint)
 
- Public Member Functions inherited from IMP::kernel::Restraint
 Restraint (Model *m, std::string name)
 
void add_score_and_derivatives (ScoreAccumulator sa) const
 
Restraintcreate_current_decomposition () const
 Decompose this restraint into constituent terms for the current conf. More...
 
Restraintcreate_decomposition () const
 Decompose this restraint into constituent terms. More...
 
virtual ScoringFunctioncreate_scoring_function (double weight=1.0, double max=NO_MAX) const
 
ContainersTemp get_input_containers () const
 
ParticlesTemp get_input_particles () const
 
virtual double get_last_score () const
 
double get_score () const
 
bool get_was_good () const
 
void set_weight (Float weight)
 
Float get_weight () const
 
double get_maximum_score () const
 
void set_maximum_score (double s)
 
- Public Member Functions inherited from IMP::kernel::ModelObject
 ModelObject (Model *m, std::string name)
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
- Public Member Functions inherited from IMP::base::Object
virtual void clear_caches ()
 
virtual IMP::base::VersionInfo get_version_info () const =0
 Get information about the module and version of the object.
 
void set_check_level (CheckLevel l)
 
void set_log_level (LogLevel l)
 Set the logging level used in this object. More...
 
void set_was_used (bool tf) const
 
void show (std::ostream &out=std::cout) const
 
const std::string & get_name () const
 
void set_name (std::string name)
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::kernel::Restraint
virtual void do_add_score_and_derivatives (ScoreAccumulator sa) const
 
virtual Restraints do_create_current_decomposition () const
 
virtual Restraints do_create_decomposition () const
 
ModelObjectsTemp do_get_outputs () const
 
virtual void do_update_dependencies ()
 

Detailed Description

This implements a multiple binormal restraint on the two dihedral angles between the two quads of Particles passed to the restraint, by implementing equation A.76 in the Modeller manual. The two angles are typically the phi and psi dihedrals of a residue.

Definition at line 30 of file MultipleBinormalRestraint.h.

Constructor & Destructor Documentation

IMP::modeller::MultipleBinormalRestraint::MultipleBinormalRestraint ( const ParticleQuad q1,
const ParticleQuad q2 
)

After creating the restraint, call add_term one or more times to add BinormalTerms to the restraint.

Parameters
[in]q1First quad of particles.
[in]q2Second quad of particles.

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