Remove atoms v add atoms

[davidcooper7]

Adding atoms already in MCS should automatically remove original pairings, but that behavior is not working.

# Analogue input
name = 'BANTA-001-000531' # Change as needed
smiles = 'CONFIDENTIAL' # Change as needed
add_atoms =  [[17,16],[18,22],[19,21],[1,25],[22,24]]
remove_atoms = [1,22]# Change as needed

# Update params
BP.input_params['Ligand']['Analogue'] = {'name': name, 'smiles': smiles, 'add_atoms': add_atoms, 'remove_atoms': remove_atoms}
BP.get_analogue_MCS(strict=True)