5 from __future__
import print_function
13 chain = IMP.atom.get_by_type(full, IMP.atom.CHAIN_TYPE)[0]
19 IMP.atom.destroy(full)
21 original_transform = rb.get_reference_frame().get_transformation_to()
30 diff = rb.get_reference_frame().get_transformation_to() / original_transform
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Rotation3D get_random_rotation_3d(const Rotation3D ¢er, double distance)
Pick a rotation at random near the provided one.
void write_pdb(const Selection &mhd, TextOutput out, unsigned int model=1)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
void read_pdb(TextInput input, int model, Hierarchy h)
TextOutput create_temporary_file(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file. The path can be extracted from the TextOutput.
Class for storing model, its restraints, constraints, and particles.
void transform(Hierarchy h, const algebra::Transformation3D &tr)
Transform a hierarchy. This is aware of rigid bodies.
Hierarchy create_simplified_along_backbone(Chain input, const IntRanges &residue_segments, bool keep_detailed=false)
IMP::core::RigidBody create_rigid_body(Hierarchy h)
Store info for a chain of a protein.
Functionality for loading, creating, manipulating and scoring atomic structures.