openpharmacophore.load_ligands

openpharmacophore.load_ligands(ligands, form)[source]

Load ligands from a list of SMILES, SMARTS, Inchi, Mol2 block or PDB block.

Parameters:

  • ligands (list[str]) – List with the ligands

  • form (str) – The form of the ligands. Can be “smi”, “smarts”, “inchi”, “mol2”, “pdb”.

Returns:

The set with all the ligands.

Return type:

list[Ligand]