IMP  2.1.0
The Integrative Modeling Platform
Public Member Functions | Static Public Member Functions | Public Attributes | List of all members
IMP::score_functor::Dope Class Reference

#include <IMP/score_functor/Dope.h>

+ Inheritance diagram for IMP::score_functor::Dope:

Public Member Functions

 Dope (double threshold, base::TextInput data_file)
 
 get_data_path ("dope_score.lib"))
 
- Public Member Functions inherited from IMP::score_functor::Statistical< DopeType, false, true >
 Statistical (IntKey k, double threshold, base::TextInput data_file)
 
 Statistical (IntKey k, double threshold, base::TextInput data_file, unsigned int shift)
 
bool get_is_trivially_zero (kernel::Model *m, const ParticleIndexPair &p, double squared_distance) const
 
double get_maximum_range (kernel::Model *, const ParticleIndexPair &) const
 
double get_score (kernel::Model *m, const ParticleIndexPair &pp, double distance) const
 
DerivativePair get_score_and_derivative (kernel::Model *m, const base::Array< 2, kernel::ParticleIndex > &pp, double distance) const
 
- Public Member Functions inherited from IMP::score_functor::Score
kernel::ModelObjectsTemp get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
 
template<unsigned int D>
bool get_is_trivially_zero (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &p, double squared_distance) const
 
template<unsigned int D>
double get_maximum_range (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &p) const
 
template<unsigned int D>
double get_score (kernel::Model *m, const kernel::ParticleIndexTuple< D > &p, double distance) const
 
template<unsigned int D>
DerivativePair get_score_and_derivative (kernel::Model *m, const kernel::ParticleIndexTuple< D > &p, double distance) const
 
void show (std::ostream &) const
 

Static Public Member Functions

static IntKey get_dope_type_key ()
 

Public Attributes

 threshold
 

Detailed Description

Score pair of atoms based on DOPE.

See M.-y. Shen and A. Sali. Statistical potential for assessment and prediction of protein structures. Protein Science 15, 2507–2524, 2006.

DOPE should not be applied to two atoms from the same residue. You may need to use the SameResiduePairFilter to filter these out.

You need to use IMP::atom::add_dope_score_data() to add the requisite atom type data to the particles being scored.

Examples:
atom/dope_and_excluded_volume.cpp.

Definition at line 36 of file Dope.h.

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