6 from __future__
import print_function
15 e = modeller.environ()
16 e.edat.dynamic_sphere =
True
17 e.libs.topology.read(
'${LIB}/top_heav.lib')
18 e.libs.parameters.read(
'${LIB}/par.lib')
19 modmodel = modeller.model(e)
20 modmodel.build_sequence(
'GGCC')
22 sel = modeller.selection(modmodel)
23 modmodel.restraints.make(sel, restraint_type=
'STEREO', spline_on_site=
False)
29 protein = loader.load_atoms(m)
34 list(loader.load_static_restraints())
35 + list(loader.load_dynamic_restraints()))
37 print(sf.evaluate(
False))
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.
Class for storing model, its restraints, constraints, and particles.
Interface to the Modeller comparative modeling package.
Read a Modeller model into IMP.