Egor Marin

Hi everyone, just adding another two cents here -- git has a feature that allows you to ignore certain commits in `git blame`: https://stackoverflow.com/questions/53502654/how-do-i-run-a-code-formatter-over-my-source-without-modifying-git-history Sadly it requires a configuration beforehand...

Is it possible that you add a project-wide autoformatter settings, and then for all new PRs you ask people to a) run the formatter on the files they're changing b)...

>I don't think that'll work - you'll get conflicts with files where folks are touching the same file. But if the settings are project-wide, their autoformatting (should) match unless they...

I wonder if it'd be ok to use `gemmi` library ([link](https://gemmi.readthedocs.io/en/latest/analysis.html)) as a dependency to read `mmcif` and other cif-like formats consistently? IMO it's one of the best supported crystallography-related...

I wonder if anyone is working on this issue? And if no, is it possible to jump on that? And additional question if it's interesting for the `@coredevs` to write...

There's a problem I don't know the workaround for yet: prolines. In the original `pydssp` following happens: - atoms get parsed from pdb regardless of residue type - hydrogens get...

The prolines problem is now dealt with, exactly as I described above -- if `guess_hydrogens=False`, it would take hydrogens from atoms that have them, and otherwise (=prolines & N-term) guess...

I surprisingly couldn't fix the `sdist_check_and_build` job, even though I added `einops` (no runtime dependency numpy wrapper) to the `install_requires` in `setup.py`. If anyone could help, I'd be happy to...

I have a fundamental question -- there are no tests in `pydssp` for the core functions, like `hbond_map` etc, are technically not covered by the tests --> codecov isn't happy...

@IAlibay >but are you vendoring a bunch of code from elsewhere? Yes -- I took MIT licensed pydssp (https://github.com/ShintaroMinami/PyDSSP) and inserted its functions into MDAnalysis. The reason I didn't include...