6 from __future__
import print_function
26 dmap = IMP.em.read_map(
28 dmap.get_header_writable().set_resolution(resolution)
30 print(
"The cross-correlation score is:",
34 print(
"The fit of the particles in the density is:", r.evaluate(
False))
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
void add_radii(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius"))
Add vdW radius from given force field.
GenericHierarchies get_leaves(Hierarchy mhd)
Get all the leaves of the bit of hierarchy.
void read_pdb(TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.
Float compute_fitting_score(const ParticlesTemp &ps, DensityMap *em_map, FloatKey wei_key=atom::Mass::get_mass_key())
Compute fitting scores for a given set of rigid transformations.
Basic utilities for handling cryo-electron microscopy 3D density maps.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
void set_log_level(LogLevel l)
Set the current global log level.
Basic functionality that is expected to be used by a wide variety of IMP users.
Calculate score based on fit to EM map.
Select all non-water non-alternative ATOM and HETATM records.
Functionality for loading, creating, manipulating and scoring atomic structures.