IMP::core::DerivativesToRefined Class Reference

Copy the derivatives from the particle to its refined particles. More...

#include <IMP/core/DerivativesToRefined.h>

Inherits SingletonDerivativeModifier.

Public Member Functions
	DerivativesToRefined (Refiner *r, FloatKeys ks=XYZ::get_xyz_keys())
	Copy ks to the particles returned by r.
virtual void	do_show (std::ostream &out) const

Detailed Description

See Also

DerivatvesFromRefinedSingletonModifier

CoverRefined

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.

## \example core/cover_particles.py
## Show how to maintain a sphere per residue which includes all atoms of the residue. The derivatives are propagated from the sphere cover to the atoms so that restraints can be used at multiple levels.

import IMP
import IMP.core
import IMP.atom
import IMP.atom

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)
pr= IMP.core.ChildrenRefiner(IMP.atom.Hierarchy.get_traits())
for r in res:
    # add coordinates and a radius to the residue particle
    IMP.core.XYZR.setup_particle(r)
    # make sure that the coordinates and the radius define a sphere
    # which contains all of the leaves (atoms) of the residue
    IMP.core.Cover.setup_particle(r.get_particle(), pr)
# update the coordinates of the residue particles so that they cover the atoms
m.update()

Definition at line 29 of file DerivativesToRefined.h.

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The documentation for this class was generated from the following file:

• DerivativesToRefined.h