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IMP
2.4.0
The Integrative Modeling Platform
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IMP
2.4.0
The Integrative Modeling Platform
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#include <IMP/score_functor/Dope.h>
Inheritance diagram for IMP::score_functor::Dope: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.
Public Member Functions | |
| Dope (double threshold=std::numeric_limits< double >::max()) | |
| Dope (double threshold, base::TextInput data_file) | |
| 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 base::Array< D, kernel::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 (kernel::Model *m, const base::Array< D, kernel::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 () |