echo 'O=C(N)C' | python3 -c "from rdkit import Chem; import sys; print(Chem.MolToSmiles(Chem.MolFromSmiles(sys.stdin.read().strip()), canonical=True))"
Pipes a SMILES string into Python query to RDkit and prints the result.
nihilism is exhausting
echo 'O=C(N)C' | python3 -c "from rdkit import Chem; import sys; print(Chem.MolToSmiles(Chem.MolFromSmiles(sys.stdin.read().strip()), canonical=True))"
Pipes a SMILES string into Python query to RDkit and prints the result.
"Life goes on, man."