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MDAnalysis / mdanalysis Public

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feat: Add support for reading unit cell dimensions from MOL2 CRYSIN records#5187

Open

Dreamstick9 wants to merge 7 commits intoMDAnalysis:developMDAnalysis/mdanalysis:developfrom

Dreamstick9:feat/3341-add-crysin-supportDreamstick9/mdanalysis:feat/3341-add-crysin-supportCopy head branch name to clipboard

Conversation Commits7 (7)Checks Files changed

Open

feat: Add support for reading unit cell dimensions from MOL2 CRYSIN records#5187
Dreamstick9 wants to merge 7 commits intoMDAnalysis:developfrom
Dreamstick9:feat/3341-add-crysin-support

Commits

Commits on Dec 23, 2025

feat: enable reading unit cell dimensions from MOL2 CRYSIN records
Dreamstick9
committed
test: add test case for MOL2 CRYSIN unit cell dimensions
Dreamstick9
committed
style: apply black formatting
Dreamstick9
committed
fix: add mol2_crysin to __all__ exports and format
Dreamstick9
committed
style: run black v24 on all files
Dreamstick9
committed
style: reformat MOL2.py to satisfy CI
Dreamstick9
committed
style: black formatting for tests and datafiles
Dreamstick9
committed

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