5 from __future__
import print_function
21 print(
"File name is", tfn)
24 rh = RMF.create_rmf_file(tfn)
42 rh = RMF.open_rmf_file_read_only(tfn)
52 print(
"Try running hdf5_display or hdf5_show on", tfn)
void show_molecular_hierarchy(Hierarchy h)
Print out the molecular hierarchy.
atom::Hierarchies create_hierarchies(RMF::FileConstHandle fh, Model *m)
RMF::FrameID save_frame(RMF::FileHandle file, std::string name="")
Save the current state of the linked objects as a new RMF frame.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
void read_pdb(TextInput input, int model, Hierarchy h)
Class for storing model, its restraints, constraints, and particles.
void load_frame(RMF::FileConstHandle file, RMF::FrameID frame)
A decorator for a particle with x,y,z coordinates.
void add_hierarchies(RMF::NodeHandle fh, const atom::Hierarchies &hs)
Functionality for loading, creating, manipulating and scoring atomic structures.
Hierarchies get_leaves(const Selection &h)
Support for the RMF file format for storing hierarchical molecular data and markup.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
std::string create_temporary_file_name(std::string prefix="imp_temp", std::string suffix="")
Create a temporary file.