# If this was a restart directive with only the python data and task, # an old database could be edited. # # As an example, here, we populate a new database with some # geometry and basis information # # Make sure that the directory containing Xrtdb.py is in your PYTHONPATH start basis noprint c library 3-21g o library 3-21g end geometry noprint autosym c 0 0 0 o 1 0 0 end python noprint from Xrtdb import * Xrtdb() end task python