This is a script to generate Mogul data for a series of compounds from the command line. A complete usage message can be displayed by using the -h or --help options. Basic usage is:

python mogul_data.py test_molecules.mol2 mogul_data.csv

The output file will contain a header line followed by lines of Mogul data for each bond, bond angle, torsion angle, and ring of each molecule in the input file.

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