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Richard Gowers edited this page Aug 14, 2019
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Welcome to the UserGuide wiki!
Below is a list of useful prior art. These might get included (in some form or another) in the User Guide that is being created.
List of useful general resources:
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https://github.com/MDAnalysis/WorkshopHackathon2018
- Workshop delivered in 2018. Has various notebooks that people went through. Has lots of code examples and highlights things that we felt were unintuitive and needed highlighting.
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https://github.com/Becksteinlab/MDAnalysis-workshop
- Workshop given in 2015. Was used as the basis for the 2018 materials, but might have diverged.
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https://github.com/MDAnalysis/MDAnalysisCookbook
- A lot of scripts and examples.
More specific examples:
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https://github.com/MDAnalysis/MDAnalysisTutorial/blob/master/notebooks/eth_hbonds.ipynb
- A tutorial on manually finding hydrogen bonds in ethanol. Was written to try and show how the distance calculation building blocks come together.
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