Hi,
I have previously contributed some code to extract thermochemistry data
from Gaussian log files, now my group are considering extending that
somewhat. The data are gathered when reading a Gaussian log file
containing the right information and stored in .sdf files. However it
might be
I certainly agree with a need for a better website. Noel's user documentation
(https://open-babel.readthedocs.org/en/latest/
https://open-babel.readthedocs.org/en/latest/) gives a lot about getting
started and using Python. If you have suggestions, it's welcome. At the moment,
I don't have the
