37 o.set_scoring_function([evr])
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Various classes to hold sets of particles.
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
Simple conjugate gradients optimizer.
Return all close unordered pairs of particles taken from the SingletonContainer.
Bond create_custom_bond(Bonded a, Bonded b, Float length, Float stiffness=-1)
Connect the two wrapped particles by a custom bond.
Class for storing model, its restraints, constraints, and particles.
Store a list of ParticleIndexes.
static Bonded setup_particle(Model *m, ParticleIndex pi)
Basic functionality that is expected to be used by a wide variety of IMP users.
Functionality for loading, creating, manipulating and scoring atomic structures.
Applies a PairScore to each Pair in a list.