Equivalent of MDAnalysis in Julia

Continuing with the theme of my previous question, Equivalent to Rosetta in Julia, I am still trying to understand the Computational Biology tool ecosystem.

Currently, I’m trying to use MDAnalysis, which is a Python package for reading PDB files and performing analysis on the structures contained therein.

I think the equivalent in Julia is BioStructures.jl? I am curious if anyone has used both and what differences they found. I read the BioStructures.jl paper, which does list features, but I’m looking for more personal/anecdotal takes.

I also intend to return to this thread with my own experiences!

To be clear, my continued comparison between Python and Julia is not intended to be adversarial! I love Julia and want to clearly understand what types of work I can use it for and where further development is needed. :heart:


See some discussion from April here: What is the best molecular dynamics analysis library in Julia?

I would also love to hear personal takes on how BioStructures.jl fares/how it could be improved, and am the first to say that it is nowhere near the maturity of MDAnalysis.

Chemfiles is shaping up nicely, and I think provides the only way to load certain MD file formats in Julia.

Recently I put a few analysis tools into Molly, particularly Makie visualisation, though it is still early days there.

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