Lily Wang

Results 154 comments of Lily Wang
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Hm, the courtesy conformer *is* annoying. This is low priority at best since it's a very moderate amount of memory even for a decent sized protein. Thanks for looking into...

This seems like a good idea. If you know `Molecule.conformers` is a list, you can clear it using public list methods -- `Molecule.conformers.clear()`. But you would need to first know...

It looks like the problem is that it's a false positive for ChainReader, because the format hint for that one checks if the file is iterable. Not sure the best...

> The format hint thing takes priority over chainreader I think. It’s also how numpy arrays don’t fall into it Not currently, and you wouldn't want it to anyway (although...

I added a comment elaborating on this problem here: https://github.com/MDAnalysis/mdanalysis/pull/3433#issuecomment-940087191

Commenting here instead of the PR so that discussion is in one place: I'm not sure that this is a good idea. There is no membrane where the protein is,...

Thank you for your detailed and clear explanation, @ojeda-e. However, I think I must be missing something, because I don't understand how the protein causes that nan value on the...

Ah yep, sorry, I’ll do that next time. Given that this is a common workflow though maybe documentation about it should be somewhere more central, like user guide or wiki?On...

Ok, I'll transfer the issue then

Hi @kumarvaastavi, the solution to this issue would be documentation on what happens to a pull request made to the core https://github.com/MDAnalysis/mdanalysis repository -- and yes, the end result would...