jaimergp

Some protonation tools, like Protoss, do add the hydrogen there: https://proteins.plus/3lcs  *** Other tools, like Chimera, do _not_ add the hydrogen to N1, but do recognize the Hbond: ```...

Do note that if PLIP is passed an already protonated structure that satisfies that STU.N1 hydrogen (like the one downloadable from Protoss server), then expected H-bond is detected with no...

Thanks! Yes, for now we will use Amber's `reduce` before running PLIP and that seems to fix the problem. Thanks again for all the input!

I guess `.keys()` could be disabled for online databases with an informative `NotImplementedError`, at least until a workaround is found.

All tests are passing on Linux. I need to fix the Windows CI now.

The remaining failure on Windows passes locally if executed individually. To reproduce the error, you need two more tests executed before (yes, I had tons of fun bisecting the list...

What command are you running? This error is happening while running `pip` (which in turns seems to be calling other tools to build `ta-lib`?), not `conda` itself. Is it from...

Went down the rabbit hole and learnt a bit more about this. `conda-build` vendors its own launchers because it can create arbitrary entry points for non-noarch packages too. It does...

I added some comments to clarify some doubts, but overall I think this looks like a potential solution to the spaces-in-TMP issue!

There are a couple of places where conda can already use threads and/or processes: Fetching the index: https://github.com/conda/conda/blob/86447b6bc47eb9549db9c857fef941e2111cb7a4/conda/core/index.py#L76-L83 Verifying the transaction: https://github.com/conda/conda/blob/86447b6bc47eb9549db9c857fef941e2111cb7a4/conda/core/link.py#L182-L183 Executing the transaction: https://github.com/conda/conda/blob/86447b6bc47eb9549db9c857fef941e2111cb7a4/conda/core/link.py#L185-L186 I think the default...