diff --git a/app/modules/tools/surge.py b/app/modules/tools/surge.py index 5aedb2b..6c987a8 100644 --- a/app/modules/tools/surge.py +++ b/app/modules/tools/surge.py @@ -59,4 +59,4 @@ def generateStructures(molecular_formula: str): smiles.append(line.decode("utf-8").rstrip()) return smiles else: - return "The molecular formula contains more heavy atoms than allowed." + return "The molecular formula contains more heavy atoms than allowed (10 Heavy Atoms max)."