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add lipidorderkit to mdanalysis #149
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Hi @ricard1997, thanks for adding your MDAKit to the registry -- exciting to see more lipid analyses here! I've just done a quick first pass over the metadata file and commented on where some entries need some modification to be properly parsed by the MDAKits registry.
fix typo Co-authored-by: Lily Wang <[email protected]>
Co-authored-by: Lily Wang <[email protected]>
Co-authored-by: Lily Wang <[email protected]>
Co-authored-by: Lily Wang <[email protected]>
Co-authored-by: Lily Wang <[email protected]>
Co-authored-by: Lily Wang <[email protected]>
Co-authored-by: Lily Wang <[email protected]>
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CI is failing due to a typo - I opened a PR in the mdakit to fix this. |
I have accepted the PR. Let me know if something else is needed. |
Thanks for updating the file @ricard1997! All looking pretty good -- however I think CI is failing due to not finding test files, which I hopefully fixed in ricard1997/lipidorderkit#3. |
Thanks for the help with the problem with pytest! |
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All LGTM -- thank you for making the changes @ricard1997!! Very happy to see a new lipid kit in the registry.
This code allows for the computation of lipid order parameters for all-atom MDAsimulation for researchers that study membrane simulations.