23 dmap.get_header_writable().set_resolution(resolution)
29 print "The fit of the particles in the density is:", r.evaluate(
False)
void set_log_level(LogLevel l)
Set the current global log level.
void add_radii(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius"))
GenericHierarchies get_leaves(Hierarchy mhd)
Get all the leaves of the bit of hierarchy.
Float compute_fitting_score(const kernel::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.
DensityMap * read_map(std::string filename)
Read a density map from a file and return it.
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
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.
void read_pdb(base::TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.