Cocktail API

This page introduces the functionality of the cocktail object and provides a deeper look into what it can accomplish in the future.

The GlobalChem Class

amino_acid_side_chains

The peptide backbone string generated from PeptideBuilder

ligand_library

The list of the ligands you would like installed on the peptide. It can be of any order.

enable_isomers(optional)

Include stereochemistry and stereoisomers in the the results. Defaults to False.

include_amino_acids(optional)

Include the natural amino acids except for Proline (TBD), list of smiles found in amino acids. Defaults to False.