IMP::score_functor::Dope Class Reference
#include <IMP/score_functor/Dope.h>
Inheritance diagram for IMP::score_functor::Dope: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 (Model *m, const base::Array< 2, ParticleIndex > &p, double squared_distance) const |
| double | get_maximum_range (Model *, const base::Array< 2, ParticleIndex > &) const |
| double | get_score (Model *m, const base::Array< 2, ParticleIndex > &pp, double distance) const |
| DerivativePair | get_score_and_derivative (Model *m, const base::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 base::Array< D, ParticleIndex > &p, double squared_distance) const |
| template<unsigned int D> | |
| double | get_maximum_range (Model *m, const base::Array< D, ParticleIndex > &p) const |
| template<unsigned int D> | |
| double | get_score (Model *m, const ParticleIndexTuple< D > &p, double distance) const |
| template<unsigned int D> | |
| DerivativePair | get_score_and_derivative (Model *m, const ParticleIndexTuple< D > &p, double distance) const |
| void | show (std::ostream &) const |
Static Public Member Functions | |
| static IntKey | get_dope_type_key () |
Detailed Description
The type of atoms for 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.
- Examples:
- atom/dope_and_excluded_volume.cpp.
The documentation for this class was generated from the following file: