2 """Clone molecules and use a symmetry constrant
24 mol = st.create_molecule(
"mymol", sequence=
'A'*10, chain_id=
'A')
25 mol.add_representation(mol, resolutions=[1])
35 clone = mol.create_clone(chains[nc])
50 dof.constrain_symmetry(mols[0], mols[nc+1], transform)
57 dof.create_flexible_beads(mols[0])
65 included_objects=mols)
69 dof.optimize_flexible_beads(100)
73 out.init_rmf(
"example_symmetry.rmf3", hierarchies=[hier])
74 out.write_rmf(
"example_symmetry.rmf3")
Simplify creation of constraints and movers for an IMP Hierarchy.
Restraints for keeping correct stereochemistry.
Set of Python classes to create a multi-state, multi-resolution IMP hierarchy.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Protocols for sampling structures and analyzing them.
Represent the root node of the global IMP.atom.Hierarchy.
Transformation3D get_rotation_about_point(const Vector3D &point, const Rotation3D &rotation)
Generate a Transformation3D object from a rotation around a point.
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.
Class for easy writing of PDBs, RMFs, and stat files.
Create a restraint between consecutive TempResidue objects or an entire PMI Molecule object...
Create movers and set up constraints for PMI objects.
A class to create an excluded volume restraint for a set of particles at a given resolution.
Python classes to represent, score, sample and analyze models.
Functionality for loading, creating, manipulating and scoring atomic structures.
Support for the RMF file format for storing hierarchical molecular data and markup.