[Rdkit-discuss] MMPA implementation in C++

Dear all, I was just checking out the MMPA implementation in the C++ code. Do I miss something or was only the fragmentation ported to C++ from Python? If that is the case, is there a specific reason why the indexing part was not ported? Kind regards, Emanuel

Re: [Rdkit-discuss] RDKit in C++

Hi Leon, Sorry for the slow reply. Greg has just merged in an updated C+ document which will be available in the new release. If you've used the old methods for iterating over atoms, you might want to take a look at that bit at least. It is now vastly simpler. It seems the RMS routines in C++