This option is used to pull a SMILES string from the supplied database and the user defined entires as explained below.
In combination with the --smiles 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