molecule file format converter using openbabel, slurm
$ python main.py --help
Usage: main.py [OPTIONS]
Options:
--src PATH input molecule file or directory. ex) source.mol2, ./target [required]
--output_format TEXT output molecule file format. ex) sdf, pdbqt [required]
--dist PATH output molecule dist directory. [default: ./dist]
--babel_cmd [babel|obabel] babel command. [default: obabel]
--babel_option TEXT open babel options. ex) --gen3d -p 7.4
--help Show this message and exit.
$ python main.py --src test.mol2 --output_format sdf --babel_option "-gen3D -p 7.4" --dist ./dist