5 from __future__
import print_function, division
19 chains = IMP.atom.get_by_type(h, IMP.atom.CHAIN_TYPE)
25 def recursive_approximation(res):
26 print(
"approximating", res)
31 me = recursive_approximation(res[0:lr // 4])\
32 + recursive_approximation(res[lr // 4: lr // 2])\
33 + recursive_approximation(res[lr // 2: 3 * lr // 4])\
34 + recursive_approximation(res[3 * lr // 4: lr])
49 res = IMP.atom.get_by_type(h, IMP.atom.RESIDUE_TYPE)
55 me = recursive_approximation(res[0:lr // 4])\
56 + recursive_approximation(res[lr // 4: lr // 2])\
57 + recursive_approximation(res[lr // 2: 3 * lr // 4])\
58 + recursive_approximation(res[3 * lr // 4: lr])
64 rmf = RMF.create_rmf_file(fn)
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
bool get_bool_flag(std::string name)
void setup_as_approximation(Hierarchy h)
void read_pdb(TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.
static Hierarchy setup_particle(Model *m, ParticleIndex pi, ParticleIndexesAdaptor children=ParticleIndexesAdaptor())
Create a Hierarchy of level t by adding the needed attributes.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
void add_hierarchies(RMF::NodeHandle fh, const atom::Hierarchies &hs)
A decorator for a residue.
Class to handle individual particles of a Model object.
Functionality for loading, creating, manipulating and scoring atomic structures.
Hierarchies get_leaves(const Selection &h)
Support for the RMF file format for storing hierarchical molecular data and markup.
void add_bonds(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
Add bonds using definitions from given force field parameters.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.