Accumulate the derivatives of the refined particles. More...

Inherits SingletonDerivativeModifier.

Public Member Functions
	DerivativesFromRefined (Refiner *r, FloatKeys ks=XYZ::get_xyz_keys())
	Copy ks from the particles returned by r.

virtual void	do_show (std::ostream &out) const

Detailed Description

See Also: DerivativesToRefined; 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.
1 ## \example core/cover_particles.py

2 ## 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.

3

4 import IMP

5 import IMP.core

6 import IMP.atom

7 import IMP.atom

8

9 m= IMP.Model()

10 prot= IMP.atom.read_pdb(IMP.core.get_example_path('example_protein.pdb'), m)

11 res= IMP.atom.get_by_type(prot, IMP.atom.RESIDUE_TYPE)

12 pr= IMP.core.ChildrenRefiner(IMP.atom.Hierarchy.get_traits())

13 for r in res:

14 # add coordinates and a radius to the residue particle

15 IMP.core.XYZR.setup_particle(r)

16 # make sure that the coordinates and the radius define a sphere

17 # which contains all of the leaves (atoms) of the residue

18 IMP.core.Cover.setup_particle(r.get_particle(), pr)

19 # update the coordinates of the residue particles so that they cover the atoms

20 m.update()

Definition at line 30 of file DerivativesFromRefined.h.

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

Public Member Functions