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rigid_fitting.h File Reference

preforms rigid fitting between a set of particles and a density map More...

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Namespaces

namespace  IMP
 The IMP kernel provides base classes and key shared functionality.
namespace  IMP::em
 This module allows density maps to be used to generate restraints.

Functions

Float IMP::em::compute_fitting_score (Particles &ps, DensityMap *em_map, FloatKey rad_key=core::XYZR::get_default_radius_key(), FloatKey wei_key=atom::Mass::get_mass_key())
 Compute fitting scores for a given set of rigid transformations.
FittingSolutions IMP::em::compute_fitting_scores (Particles &ps, DensityMap *em_map, const FloatKey &rad_key, const FloatKey &wei_key, const std::vector< IMP::algebra::Transformation3D > &transformations, bool fast_version=false)
 Compute fitting scores for a given set of rigid transformations.
FittingSolutions IMP::em::local_rigid_fitting (core::RigidBody &rb, const FloatKey &radius_key, const FloatKey &weight_key, DensityMap *dmap, OptimizerState *display_log=NULL, Int number_of_optimization_runs=5, Int number_of_mc_steps=10, Int number_of_cg_steps=100, Float max_translation=2., Float max_rotation=5.)
 Local rigid fitting of a rigid body.
FittingSolutions IMP::em::local_rigid_fitting_around_point (core::RigidBody &rb, const FloatKey &radius_key, const FloatKey &weight_key, DensityMap *dmap, const algebra::VectorD< 3 > &anchor_centroid, OptimizerState *display_log, Int number_of_optimization_runs=5, Int number_of_mc_steps=10, Int number_of_cg_steps=100, Float max_translation=2., Float max_rotation=5.)
 Local rigid fitting of a rigid body around a center point.
FittingSolutions IMP::em::local_rigid_fitting_around_points (core::RigidBody &rb, const FloatKey &rad_key, const FloatKey &wei_key, DensityMap *dmap, const std::vector< algebra::VectorD< 3 > > &anchor_centroids, OptimizerState *display_log, Int number_of_optimization_runs=5, Int number_of_mc_steps=10, Int number_of_cg_steps=100, Float max_translation=2., Float max_rotation=5.)
 Local rigid fitting of a rigid body around a set of center points.
FittingSolutions IMP::em::local_rigid_fitting_grid_search (Particles &ps, const FloatKey &rad_key, const FloatKey &wei_key, DensityMap *dmap, Int max_voxels_translation=2, Int translation_step=1, Float max_angle_in_radians=0.174, Int number_of_rotations=100)
 Local grid search rigid fitting.

Detailed Description

preforms rigid fitting between a set of particles and a density map

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