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IMP Reference Guide
2.8.0
The Integrative Modeling Platform
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#include <IMP/score_functor/Soap.h>
Inheritance diagram for IMP::score_functor::Soap:Score pair of atoms based on SOAP.
Optimized atomic statistical potentials: Assessment of protein interfaces and loops. Dong GQ, Fan H, Schneidman-Duhovny D, Webb B, Sali A. Bioinformatics. 2013
soap_score.lib is the table that was developed for scoring docking models. Should be applied on pairs of atoms from the two docked proteins.
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 | |
| Soap (double threshold=std::numeric_limits< double >::max()) | |
| Soap (double threshold, TextInput data_file) | |
| Public Member Functions inherited from IMP::score_functor::Statistical< DopeType, false, false > | |
| 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_soap_type_key () |
