--smiles

This option in used to pass a SMILES string to e-LBOW.

In combination with the --key option, the SMILES string can be added to a user database. For example:

elbow.builder --key ethanol --smiles CCO

will add the SMILES string CCO to the user database and can be recalled using:

elbow.builder --key ethanol

The entry can be removed using:

elbow.builder --key ethanol --smiles ""

All available entries can be viewed using:

elbow.get_smiles