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Update dependencies, available readers, wildcard selections#77

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lilyminium merged 20 commits intoMDAnalysis:masterfrom
lilyminium:update-stuff
Jun 25, 2020
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Update dependencies, available readers, wildcard selections#77
lilyminium merged 20 commits intoMDAnalysis:masterfrom
lilyminium:update-stuff

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@lilyminium lilyminium commented Jun 19, 2020

Fixes #66
Fixes #65
Fixes #55

Build: https://mdauserguide.readthedocs.io/en/update-stuff/

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@lilyminium lilyminium requested a review from orbeckst June 19, 2020 03:05
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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.

@lilyminium lilyminium added the version-1.0 Contains 1.0 features label Jun 19, 2020
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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?

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Thanks @lilyminium for requesting the feedback! I have only two minor comments

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Yuan-Yu commented Jun 20, 2020

Looks good to me for my part. Thank you for requesting the feedback. :)

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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 :-)

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lgtm – looking forward to the updated version

@lilyminium lilyminium merged commit 4af9ee1 into MDAnalysis:master Jun 25, 2020
@lilyminium lilyminium deleted the update-stuff branch June 25, 2020 00:23
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More dependencies Add PDB to list of formats with elements attribute update selection documentation on wildcards

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