导入库
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem.Draw import IPythonConsole
from rdkit.Chem import PyMol
import pickle
molH = pickle.load(open('molH_confs.pkl','rb'))
confs = molH.GetConformers()
diheds = [Chem.rdMolTransforms.GetDihedralDeg(conf,1,3,4,5) for conf in confs]
%matplotlib inline
import matplotlib.pyplot as plt
plt.style.use('ggplot')