Add an example notebook for structural analysis of multistate trajectories#114
Add an example notebook for structural analysis of multistate trajectories#114hannahbaumann wants to merge 4 commits into
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"trajectory transformation pipeline" - mentioned in the ExampleNotebooks PR, it would be good to mention something that points to the reader that this applies a series of MDAnalysis Universe Transformations.
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Added that it apply the mda universe transforms with a link to mda docs so the user knows what's meant by that.
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[nit] always worth spelling out to users what you're doing, e.g. "Let's also define where our results are".
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I added solvent analysis to the SepTop example, but I'm actually thinking about leaving it out here (mostly because the example files don't have the solvent leg and the solvent plots without the symmetry correction are not very meaningful). But I could also generate new ones?
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Might be good somewhere here (or at the top) to briefly mention the types of analyses that you're showing off here.
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I added this at the top.
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Do we have these analyses defined anywhere? It would be good to mention what each of these measure e.g. Ligand COM being self-COM from the first frame of production, etc...
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I added this!
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As I was pushing my comments - I realised that I might have gotten confused with the ExampleNotebooks PR, apologies if this one wasn't ready for review yet!
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