11 m.set_log_level(IMP.SILENT)
22 for i, p
in enumerate(ps[1:]):
43 d0.set_coordinates_are_optimized(
True)
46 opt.set_scoring_function(sf)
48 print(
"score is ", sf.evaluate(
False))
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Various classes to hold sets of particles.
static XYZR setup_particle(Model *m, ParticleIndex pi)
Simple conjugate gradients optimizer.
Apply a SingletonFunction to a Singleton.
Create a scoring function on a list of restraints.
static XYZ setup_particle(Model *m, ParticleIndex pi)
Rotation3D get_rotation_about_axis(const Vector3D &axis, double angle)
Generate a Rotation3D object from a rotation around an axis.
Class for storing model, its restraints, constraints, and particles.
Store a list of ParticleIndexes.
A decorator for a particle with x,y,z coordinates.
Basic functionality that is expected to be used by a wide variety of IMP users.
static Reference setup_particle(Model *m, ParticleIndex pi, ParticleIndexAdaptor reference)
Prevent a set of particles and rigid bodies from inter-penetrating.
Class to handle individual particles of a Model object.