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