chemcoord.xyz_functions.view

chemcoord.xyz_functions.view(molecule, viewer=None, list_viewer_file=None, use_curr_dir=False)[source]

View your molecule or list of molecules.

Note

This function writes a temporary file and opens it with an external viewer. If you modify your molecule afterwards you have to recall view in order to see the changes.

Parameters:

  • molecule (Cartesian | Iterable[Cartesian]) – A cartesian or a list of cartesians.

  • viewer (str | PathLike[str] | None) – The external viewer to use. The default is specified in settings.viewer.

  • use_curr_dir (bool) – If True, the temporary file is written to the current directory. Otherwise, it is written to the OS-dependent temporary directory.

  • list_viewer_file (Literal['molden', 'xyz'] | None)

Return type:

None