Paolo Tosco

Hi Maria, that's indeed the expected behavior. The C++ `MolToMolBlock()` function does the same. However, there is a C++ `MolToV2KMolBlock()` function which forces a V2K molblock, which is not exposed...

This is not a bug. `get_mol` will only parse the molblock up to the `M END` tag, as it mimics the functionality of the Python function `Chem.MolFromMolBlock` rather than from...

No, at the moment there isn’t one.

@mark-mackey-cresset Hi Mark, thanks for reporting this and for providing reproducible examples. This sort of issue [has already been reported in the past](https://github.com/rdkit/rdkit/issues/3965), and last year I took some time...

Small Python reproducible: ```python from rdkit import Chem from rdkit.Chem import rdMMPA import pandas as pd mol = Chem.MolFromSmiles(r"C\C=C\c1ccccc1") mol ```  ``` frags = rdMMPA.FragmentMol(mol, resultsAsMols=False) len(frags) 3 df...

However, _sp3_ center stereochemistry is preserved as expected: ```python from rdkit import Chem from rdkit.Chem import rdMMPA import pandas as pd mol = Chem.MolFromSmiles(r"C[C@H](Cl)Cc1ccccc1") mol ```  ``` frags =...

@greglandrum Yes, I think it makes sense. @JLVarjo Regarding the fact that MMFF modifies aromaticity flags, I agree it would be much better not to, and I would not do...

You are right, I also think this is a bug. Apparently the check for `mcs_params.AtomCompareParameters.CompleteRingsOnly = True` is too strict and ignores that one of the two rings in the...

I am closing this as it has been fixed by #7644, which has already been merged.

@giordano Hi Mosè, I have just managed building the CFFI DLL from the latest `master` branch on Windows with the MinGW toolchain using the following CMake command: ``` cmake \...