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Fix build failure caused by lack of mmCif format short description - #447

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jpkrowe:fix-cif-format-description
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jpkrowe wants to merge 1 commit into
MDAnalysis:developfrom
jpkrowe:fix-cif-format-description

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@jpkrowe

@jpkrowe jpkrowe commented Oct 23, 2026 •

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PR MDAnalysis/mdanalysis#4712 added an mmCIF reader and parser registered as CIF, CIF.GZ, MMCIF and MMCIF.GZ, which causes the userguide to fail with KeyError: 'CIF'.

This partially fixes #441 as it doesn't add a full rst file for the format.

  • add a CIF entry to DESCRIPTIONS
  • add .upper to format dictionary key selection to avoid having to define entries for cif.gz, mmcif and mmcif.gz

📚 Documentation preview 📚: https://mdanalysisuserguide--447.org.readthedocs.build/en/447/

PR MDAnalysis/mdanalysis#4712 added an mmCIF reader and parser
registered as CIF, CIF.GZ, MMCIF and MMCIF.GZ, which caused the
userguide to fail with KeyError: 'CIF'.

- add a CIF entry to DESCRIPTIONS
- add `.upper` to format dictionary key selection to avoid having to
define entries for cif.gz, mmcif and mmcif.gz
@orbeckst

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  • pre-commit fails with something weird in black – not this PR's fault as far as I can tell
  • the example tests failures are benign: PCA lost a 0j (inconsequential) and ENCORE is always flaky.

@orbeckst orbeckst self-assigned this Nov 15, 2026

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Add mmcif/PDBx functionality

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