IMP  2.1.0
The Integrative Modeling Platform
simple_excluded_volume.py
1 ## \example restrainer/simple_excluded_volume.py
2 # This example shows how to create simple IMP::core::ExcludedVolumeRestraint.
3 #
4 
5 # -- File: simple_excluded_volume.py --#
6 
7 import IMP
8 import IMP.core
9 import IMP.atom
10 import IMP.restrainer
11 
12 m = IMP.kernel.Model()
13 
16  IMP.restrainer.get_example_path("input.pdb"), m, sel)
18  IMP.restrainer.get_example_path("input.pdb"), m, sel)
19 
21 mhs.append(p0)
22 mhs.append(p1)
23 
24 ps = []
25 for mh in mhs:
26  ps.append(mh.get_particle())
27 
29 
31 
32 r = sev.get_restraint()
33 
34 m.add_restraint(r)
See IMP.restrainer for more information.
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
See IMP.core for more information.
core::RigidBodies set_rigid_bodies(atom::Hierarchies const &mhs)
SimpleExcludedVolume create_simple_excluded_volume_on_rigid_bodies(const core::RigidBodies &rbs, Refiner *ref=IMP::core::internal::get_rigid_members_refiner())
Select all CA ATOM records.
Definition: pdb.h:76
See IMP.atom for more information.
void read_pdb(base::TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.