16 e = modeller.environ()
17 e.edat.dynamic_sphere =
False
18 e.libs.topology.read(
'${LIB}/top_heav.lib')
19 e.libs.parameters.read(
'${LIB}/par.lib')
20 modmodel = modeller.model(e)
21 modmodel.build_sequence(
'GGCC')
28 atoms = IMP.atom.get_by_type(protein, IMP.atom.ATOM_TYPE)
30 atoms[0].get_particle(),
31 atoms[-1].get_particle())
36 t = modmodel.env.edat.energy_terms
40 sel = modeller.selection(modmodel)
A Modeller restraint which evaluates an IMP scoring function.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Create a scoring function on a list of restraints.
Distance restraint between two particles.
Class for storing model, its restraints, constraints, and particles.
Interface to the Modeller comparative modeling package.
Basic functionality that is expected to be used by a wide variety of IMP users.
Read a Modeller model into IMP.
Harmonic function (symmetric about the mean)