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[ENHANCEMENT] Update MDAnalysis converter #621

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ChiCheng45 opened this issue Dec 11, 2024 · 0 comments
Open

[ENHANCEMENT] Update MDAnalysis converter #621

ChiCheng45 opened this issue Dec 11, 2024 · 0 comments
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enhancement New feature or request

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ChiCheng45 commented Dec 11, 2024 •
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Is your feature request related to a problem? Please describe.
There is now a new atom-type guesser mechanism in the latest version of MDAnalysis https://github.com/MDAnalysis/mdanalysis/releases/tag/package-2.8.0 this should give us some more control over how MDAnalysis guesses the atom types. We should update our MDAnalysis converter accordingly.
@ChiCheng45 ChiCheng45 added the enhancement New feature or request label Dec 11, 2024
@ChiCheng45 ChiCheng45 self-assigned this Dec 11, 2024
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