CNS paths definitions
Path to CNS-related files.
Most paths are defined by dictionaries that gather several related paths. Here, instead of defining the dictionaries with static paths, we have functions that create those dict-containing paths dynamically. The default values are defined by:
axis
tensors
translation_vectors
water_box
But you can re-use the functions to create new dictionaries with updated paths. This is useful for those cases when the cns/ folder is moved to a different folder.
- haddock.core.cns_paths.get_axis(path: str | Path) dict[str, pathlib.Path][source]
Generate paths for axis.
- haddock.core.cns_paths.get_tensors(path: str | Path) dict[str, pathlib.Path][source]
Generate paths for tensors.
- haddock.core.cns_paths.get_translation_vectors(path: str | Path) dict[str, pathlib.Path][source]
Generate paths for translation vectors.
- Parameters:
path (pathlib.Path) – If absolute, paths will be absolute, if relative paths will be relative. Adds the INITIAL_POSITIONS_DIR path before the file name.