IMP Reference Guide
2.14.0
The Integrative Modeling Platform
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Score atoms based on the Fiser/Melo loop modeling statistical potential. More...
#include <IMP/score_functor/LoopStatistical.h>
Score atoms based on the Fiser/Melo loop modeling statistical potential.
See Fiser et al, Modeling of loops in protein structures. Protein Science 9, 1753-1773, 2000.
Like DOPE, this potential 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_loop_statistical_score_data() to add the requisite type data to the particles being scored.
Definition at line 37 of file LoopStatistical.h.
Public Member Functions | |
LoopStatistical (double threshold=std::numeric_limits< double >::max()) | |
LoopStatistical (double threshold, TextInput data_file) | |
Public Member Functions inherited from IMP::score_functor::Statistical< LoopStatisticalType, 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_loop_type_key () |