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COMCIFS / Structure_Prediction_Dictionary Public

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Fix example CIF files#19

Open

vaitkus wants to merge 6 commits into

COMCIFS:mainCOMCIFS/Structure_Prediction_Dictionary:mainfrom

vaitkus:fix-example-cif-filesvaitkus/Structure_Prediction_Dictionary:fix-example-cif-filesCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Open

Fix example CIF files#19
vaitkus wants to merge 6 commits into
COMCIFS:mainfrom
vaitkus:fix-example-cif-files

Commits

Commits on Jun 5, 2026

Add mandatory CIF 2.0 header comment
vaitkus
committed
Remove commas from CIF 2.0 lists
vaitkus
committed
Prefix '...' with a comment symbol to produce a parseable CIF
vaitkus
committed
CIF 2.0 does not permit square brackets to appear in unquoted values
vaitkus
committed
Fix data names
vaitkus
committed
Fix placement of '.' in data names
vaitkus
committed

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