Arian Jamasb

Thanks! I could reproduce it. It looks like removing altlocs throws off the indexing order in the dataframe. Quick fix first: replace `.loc` with `.iloc` in `add_distance_threshold`: ```python def add_distance_threshold(...

Apologies, syntax error on my part. I've updated the codeblock above.

That's a good point! I was mostly concerned about the potential for build problems (mostly as `cpdb` is my first time working with Cython). I'll make a PR tonight and...

@Ruibin-Liu Hmm, that's a really great point. I could add a `read_header` arg to `cpdb`. In any case, I wouldn't have thought it would make a huge difference to speed;...

Thanks for the PR @Linsastar! Could you clarify why the atoms are different to those specified in the existing Hbond [acceptors](https://github.com/a-r-j/graphein/blob/6dae5ff114a40410566f6fea4e558b2b9a6ba580/graphein/protein/resi_atoms.py#L882) and [donors](https://github.com/a-r-j/graphein/blob/6dae5ff114a40410566f6fea4e558b2b9a6ba580/graphein/protein/resi_atoms.py#L860)

Hi Chenyang, thanks for clarifying, that all makes sense to me. Appreciate it! To cover your points: 1. Backbone atoms are a clear omission by us here. I think it...

Hi @CongWang98 that sounds like a great feature and certainly possible. Unfortunately I don't have bandwidth right now to work on it. I hope you or someone from the community...

Happy New Year @rasbt ! Anything I can do to get this PR merged? :)

Hi @pengzhangzhi this is actually something we planned on adding. You can read our discussion about it in #272. We decided to leave it for the initial release to see...

Hmm, what do you think about an approach where you use FoldSeek to get a set of representative clusters, then you can apply some hierarchical clustering method based on the...