Update dependencies, available readers, wildcard selections#77
Update dependencies, available readers, wildcard selections#77lilyminium merged 20 commits intoMDAnalysis:masterfrom lilyminium:update-stuff
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@Luthaf @Marcello-Sega @Yuan-Yu I've just added short pages on the new readers/parsers to the MDAnalysis user guide. These are mostly to highlight usage notes and unexpected behaviour, or point out features that are important to know, e.g. the TPR format starts atom ids from 0 despite other formats not doing this. It would be great to get your thoughts on if I should add or change anything here; I'm not familiar with any of the formats. |
Luthaf
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Looks good to me, I just find the 'chemfiles object' appellation a bit strange. What do you think of chemfiles' readers or chemfiles library readers or something like this?
Marcello-Sega
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Thanks @lilyminium for requesting the feedback! I have only two minor comments
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Looks good to me for my part. Thank you for requesting the feedback. :) |
Co-authored-by: Marcello Sega <marcello.sega@gmail.com>
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Thanks @Yuan-Yu! |
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@orbeckst unless you have any changes to suggest for fnmatch and the new dependencies, I'll probably merge this in the next couple days :-) |
orbeckst
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lgtm – looking forward to the updated version
Fixes #66
Fixes #65
Fixes #55
Build: https://mdauserguide.readthedocs.io/en/update-stuff/
Changes: