CentroidOfRefinedSingletonModifer An example showing a how to use such a score state to maintain a cover of the atoms of a protein by a sphere per residue.
import IMP
import IMP.core
import IMP.atom
import IMP.atom
import IMP.helper
m= IMP.Model()
prot= IMP.atom.read_pdb(IMP.core.get_example_path('example_protein.pdb'), m)
res= IMP.atom.get_by_type(prot, IMP.atom.RESIDUE_TYPE)
for p in res:
IMP.core.XYZR.setup_particle(p.get_particle())
mtr=IMP.atom.Hierarchy.get_traits()
pr= IMP.core.ChildrenRefiner(mtr)
for r in res:
IMP.core.Cover.setup_particle(r.get_particle(), pr)
m.evaluate(False)
Public Member Functions | |
| void | apply (const ParticlesTemp &ps, DerivativeAccumulator &da) const |
| void | apply (const ParticlesTemp &ps) const |
| void | apply (Particle *) const |
| void | apply (Particle *a, DerivativeAccumulator &da) const |
| DerivativesFromRefined (Refiner *r, FloatKeys ks=XYZ::get_xyz_keys()) | |
| Copy ks from the particles returned by r. | |
| ContainersTemp | get_input_containers (Particle *) const |
| ParticlesTemp | get_input_particles (Particle *) const |
| ParticlesList | get_interacting_particles (Particle *) const |
| ContainersTemp | get_output_containers (Particle *) const |
| ParticlesTemp | get_output_particles (Particle *) const |
| virtual std::string | get_type_name () const |
| virtual ::IMP::VersionInfo | get_version_info () const |
Friends | |
| template<class T > | |
| void | IMP::internal::unref (T *) |