fetchMolecule.py

usage: fetchMolecule.py [-h] [-o OUTFILE] (-s SMILES | -i IUPAC)

print structure in xyz format

optional arguments:
  -h, --help            show this help message and exit
  -o OUTFILE, --output OUTFILE
                        output destination
                        Default: stdout

Identifier format:
  -s SMILES, --smiles SMILES
                        SMILES notation for molecule
  -i IUPAC, --iupac IUPAC
                        IUPAC name of molecule