Greg Landrum
Greg Landrum
It's not clear from either the documentation in the code or the description in the PR what exactly this is for or what the new option actually does and the...
I think it's worth discussing whether or not this is actually a bug. There is an argument to be made that this kind of information should influence the canonical atom...
I agree that this is wrong, but this function signature information is added automatically by boost::python and I don't think we can change it. We can disable the function signatures...
Before closing it, I do want to check to see if there's potentially a way to fix it.
Hi. I stopped doing python 3.5 builds for the RDKit and really suggest switching to python 3.6. Do you need to stay with Python 3.5 for some reason?
@vini-guimaraes : which operating system are you using? are you using conda? how did you install the rdkit (exactly which commands did you execute)?
Hi @jasondbiggs, I've heard about this problem independently from others recently. I'll take a look at fixing the issue in the underlying library.
Apologies that this is not as obvious as it should be. The verbose output from the MolStandardize code are actually coming from the C++ side, so you have to use...
I agree that this looks like a bug and think it should be relatively straightforward to fix. @jones-gareth : I would be happy to fix this if you don't want...
> @greglandrum That is an offer I'm happy to accept! Ok; I will take it on. Likely Won't happen for the 2022.09.1 release, but we can get it in the...