Richard Gowers

Just another thought, it would be cool if an AtomGroup had a `to_BeadGroup` method. So then when you had a collection of AGs, `ag.to_BeadGroup` lets you treat many atoms as...

Another request for this: https://groups.google.com/forum/#!topic/mdnalysis-discussion/7gnJ-dLLZsc

We had (or have?) pylint on, but it sometimes throws annoying errors which stop a PR merging. i think with something like black, we'd have to have every contributor follow...

@PicoCentauri Sorry I missed this the first time round. This is a great idea, and I am anticipating that this pattern of only looping through the trajectory once will be...

One nice thing about using awkward would be removing lots of our code which does the same. So even if performance doesn't change its still a win

WRT removing verbose, I think we can have verbose in one place, but I think it'll have to be `__init__` else how will we see log stuff that happens during...

Hi @jaclark5 thanks for the detailed error report! I'm having a little trouble reproducing the problem, I did the code snippet below to try and reproduce and it seems to...

I've not actually seen these trig tricks before, but it might work in fractional space, we've got `R_to_S` and `S_to_R` already to check this. I think it *is* an API...

I'm not sure if this requires a different keyword, or if this is a better way of implementing the `unwrap=True, compound='group'` combination.

@NinadBhat `make_whole` is currently just doing a breadth first search of the molecule's bonds and correcting bond lengths that are wrong as it goes. There's probably some performance that you...