rdkit 识别反应中心
from rdkit import Chem
from rdkit.Chem import AllChem, rdChemReactions
from rdkit.Chem import Draw
import os
from rdkit.six import StringIO
aam_file = r'pathpath'
# sub_file = os.path.join('data','Drugbank_SUB_SMILES',)
res_file = os.path