9 #ifndef IMPCNMULTIFIT_SYMMETRY_UTILS_H
10 #define IMPCNMULTIFIT_SYMMETRY_UTILS_H
18 #include <IMP/cnmultifit/cnmultifit_config.h>
21 IMPCNMULTIFIT_BEGIN_NAMESPACE
29 atom::Hierarchies mhs,
int symm_deg);
32 em::FittingSolutions symmetry_local_fitting(atom::Hierarchies mhs,
33 int cn_symm_deg,
int dn_symm_deg,
35 int num_of_trans_to_consider);
38 em::DensityMap *build_cn_dens_assembly(
39 em::DensityMap *subunit_dens,
const em::DensityHeader &asmb_dens_header,
40 algebra::Transformation3D monomer_t,
int symm_deg);
43 void transform_cn_assembly(atom::Hierarchies mhs,
44 algebra::Transformation3D monomer_t);
48 em::FittingSolutions
fit_cn_assembly(atom::Hierarchies mhs,
int dn_symm_deg,
49 em::DensityMap *dmap,
float threshold,
50 const AlignSymmetric &aligner,
51 bool sample_translation =
false,
52 bool fine_rotational_sampling =
57 const MolCnSymmAxisDetector &symm_mol,
59 const CnSymmAxisDetector &symm_map,
60 int symm_deg,
float threshold);
63 bool pca_matching(
const algebra::PrincipalComponentAnalysis &pca1,
64 const algebra::PrincipalComponentAnalysis &pca2,
85 float get_cn_rmsd(atom::Hierarchies mh1, atom::Hierarchies mh2);
87 IMPCNMULTIFIT_END_NAMESPACE
molecule symmetry detector
IMP::Vector< FittingSolutionRecord > FittingSolutionRecords
handles reading and writing MultiFit fitting solutions file
Fast alignment of a cyclic model to its density.
Detect cn symmetry in proteins and density maps.
Return the hierarchy leaves under a particle.
Decorator for helping deal with a hierarchy of molecules.
float cn_symm_score(atom::Hierarchies mhs, const algebra::Vector3D ¢er, const algebra::Vector3D &direction, int symm_deg)
scores an input vector as a symmetry axis
float get_cn_rmsd(atom::Hierarchies mh1, atom::Hierarchies mh2)
Find correspondence between the two rings and calculate rmsd.
IMP::Vector< Transformation3D > Transformation3Ds
em::FittingSolutions fit_cn_assembly(atom::Hierarchies mhs, int dn_symm_deg, em::DensityMap *dmap, float threshold, const AlignSymmetric &aligner, bool sample_translation=false, bool fine_rotational_sampling=true)
Fit a symmetric model to its density.
Performs rigid fitting between a set of particles and a density map.