The --file option instructs e-LBOW to parse the given file.
e-LBOW reads a number of chemical formats including
- SMILES: string
- PDB: string or file
- XYZ: string or file
- MOLFILE: string or file
- TRIPOS MOL2: string or file
- GAMESS input: string or file
- GAMESS output: string or file
- Gaussian input: string or file
- Gaussian output: string or file
- PyQuante input: list or tuple
There are a number of factors relating to the input format.