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IMP Reference Guide  2.5.0
The Integrative Modeling Platform
IMP::score_functor::Dope Class Reference

#include <IMP/score_functor/Dope.h>

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

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.


Definition at line 36 of file Dope.h.

Public Member Functions

 Dope (double threshold=std::numeric_limits< double >::max())
 Dope (double threshold, TextInput data_file)
- Public Member Functions inherited from IMP::score_functor::Statistical< DopeType, false, true >
 Statistical (IntKey k, double threshold, TextInput data_file)
 Statistical (IntKey k, double threshold, TextInput data_file, unsigned int shift)
bool get_is_trivially_zero (Model *m, const ParticleIndexPair &p, double squared_distance) const
double get_maximum_range (Model *, const ParticleIndexPair &) const
double get_score (Model *m, const ParticleIndexPair &pp, double distance) const
DerivativePair get_score_and_derivative (Model *m, const Array< 2, ParticleIndex > &pp, double distance) const
- Public Member Functions inherited from IMP::score_functor::Score
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) const
template<unsigned int D>
bool get_is_trivially_zero (Model *m, const Array< D, ParticleIndex > &p, double squared_distance) const
template<unsigned int D>
double get_maximum_range (Model *m, const Array< D, ParticleIndex > &p) const
template<unsigned int D>
double get_score (Model *m, const Array< D, ParticleIndex > &p, double distance) const
 Return the score at the passed feature size (eg distance). More...
template<unsigned int D>
DerivativePair get_score_and_derivative (Model *m, const Array< D, ParticleIndex > &p, double distance) const
 Return the score and derivative at the passed feature size (eg distance). More...
void show (std::ostream &) const

Static Public Member Functions

static IntKey get_dope_type_key ()

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