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ccdc-opensource / csd-python-api-scripts Public

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PR to verify disorders#63

Closed

MilitaoLucas wants to merge 5 commits intoccdc-opensource:mainccdc-opensource/csd-python-api-scripts:mainfrom

MilitaoLucas:LucasMilitaoMilitaoLucas/csd-python-api-scripts:LucasMilitaoCopy head branch name to clipboard

Conversation Commits5 (5)Checks Files changed

Closed

PR to verify disorders#63
MilitaoLucas wants to merge 5 commits intoccdc-opensource:mainfrom
MilitaoLucas:LucasMilitao

Commits

Commits on Jul 9, 2024

This raises an exception when the input_structure it doesn't totally fixes #58 but improves it somewhat. There doesn't seem to be any consistent ways to check for disorder
MilitaoLucas
committed
Verifies if mol2 files have 3d coordinates to avoid running if there are no 3d coordinates and gives out a warning.
MilitaoLucas
committed
Merge branch 'ccdc-opensource:main' into LucasMilitao
MilitaoLucas
authored
Update ReadMe.md
MilitaoLucas
committed
Merge remote-tracking branch 'origin/LucasMilitao' into LucasMilitao
MilitaoLucas
committed

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