interfacea

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joaomcteixeira

Without going too deep into the matter, I just want to provide an example of `fixtures` so that you can separate the `assert` statements in different test functions. You can...

joaomcteixeira

It would be nice to have the possibility to extract the interactions between multiple chains and another one. For example the interactions of H and L with the chain A....

Francesco03

Would be great to have a way of selecting groups of atoms using a Pymol-like selection language, like `mdtraj` or `MDAnalysis` do.

JoaoRodrigues