6 from __future__
import print_function
16 bds = IMP.atom.get_internal_bonds(prot)
21 print(br.evaluate(
False))
Applies a SingletonScore to each Singleton in a list.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Various classes to hold sets of particles.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
void read_pdb(TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.
Store a list of ParticleIndexes.
Score the bond based on a UnaryFunction,.
Functionality for loading, creating, manipulating and scoring atomic structures.
void add_bonds(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
Add bonds using definitions from given force field parameters.
Harmonic function (symmetric about the mean)