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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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Orientation-dependent SOAP score. More...
#include <IMP/score_functor/OrientedSoap.h>
Inheritance diagram for IMP::score_functor::OrientedSoap:Orientation-dependent SOAP score.
Such scores include those that score loops (SOAP-Loop), protein-peptide interfaces (SOAP-Peptide) and proteins (SOAP-Protein). The library files themselves, such as soap_loop.hdf5 or soap_protein_od.hdf5, are rather large (~1.5GB) and so are not included here. They can be downloaded separately from http://salilab.org/SOAP/.
Definition at line 28 of file OrientedSoap.h.
Public Member Functions | |
| OrientedSoap (std::string library) | |
| Constructor. More... | |
| double | get_distance_threshold () const |
| kernel::ModelObjectsTemp | get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const |
| template<unsigned int D> | |
| bool | get_is_trivially_zero (kernel::Model *, const base::Array< D, kernel::ParticleIndex > &, double squared_distance) const |
| template<unsigned int D> | |
| double | get_maximum_range (kernel::Model *, const base::Array< D, kernel::ParticleIndex > &) const |
| template<unsigned int D> | |
| double | get_score (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &pis, double distance) const |
| template<unsigned int D> | |
| DerivativePair | get_score_and_derivative (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &pis, 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 |
| IMP::score_functor::OrientedSoap::OrientedSoap | ( | std::string | library | ) |
Constructor.
| [in] | library | The HDF5 file containing the SOAP library. |
Definition at line 66 of file OrientedSoap.h.