这种错误一般是由于数据类型错误(我是这样的)
ArgumentError Traceback (most recent call last)
/tmp/ipykernel_2665/3113553009.py in
26
27 filename = conf[“geom_id”]
—> 28 Chem.MolToMolFile(mol=mol, filename= filename)
ArgumentError: Python argument types in
rdkit.Chem.rdmolfiles.MolToMolFile()
did not match C++ signature:
MolToMolFile(RDKit::ROMol mol, std::__cxx11::basic_string<char, std::char_traits, std::allocator > filename, bool includeStereo=True, int confId=-1, bool kekulize=True, bool forceV3000=False)
上面 filename 应该给的是字符串类型,我给的是整形,所以包这样的错误