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Namespaces | |
namespace | IMP |
The IMP kernel provides base classes and key shared functionality. | |
namespace | IMP::atom |
This module contains functionality for dealing with atoms and proteins. | |
Functions | |
std::pair< double, double > | IMP::atom::get_component_placement_score (const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2) |
Measure the difference between two placements of the same set of points. | |
template<class Vecto3DsOrXYZs0 , class Vecto3DsOrXYZs1 > | |
double | IMP::atom::get_native_overlap (const Vecto3DsOrXYZs0 &m1, const Vecto3DsOrXYZs1 &m2, double threshold) |
Computes the native overlap between two sets of 3D points. | |
double | IMP::atom::get_pairwise_rmsd_score (const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2) |
Measure the RMSD between two placements of the same set of points. | |
std::pair< double, double > | IMP::atom::get_placement_score (const core::XYZs &from, const core::XYZs &to) |
Measure the difference between two placements of the same set of points. | |
template<class Vecto3DsOrXYZs0 , class Vecto3DsOrXYZs1 > | |
double | IMP::atom::get_rmsd (const Vecto3DsOrXYZs0 &m1, const Vecto3DsOrXYZs1 &m2, const IMP::algebra::Transformation3D &tr_for_second=IMP::algebra::get_identity_transformation_3d()) |
Calculate the root mean square deviation between two sets of 3D points. |
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