17 original_transform = rb.get_reference_frame().get_transformation_to()
26 diff = rb.get_reference_frame().get_transformation_to() / original_transform
29 name = IMP.create_temporary_file(
"out",
".pdb")
void write_pdb(const Selection &mhd, base::TextOutput out, unsigned int model=1)
Rotation3D get_random_rotation_3d(const Rotation3D ¢er, double distance)
Pick a rotation at random near the provided one.
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
void transform(Hierarchy h, const algebra::Transformation3D &tr)
Transform a hierarchy. This is aware of rigid bodies.
Hierarchies get_by_type(Hierarchy mhd, GetByType t)
void destroy(Hierarchy d)
Delete the Hierarchy.
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.
void read_pdb(base::TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.