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python-modelcif 0.7 release
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@benmwebb benmwebb released this 25 Jan 20:52
· 97 commits to main since this release
0.7
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benmwebb Ben Webb
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  • More examples have been added to demonstrate interconversion between mmCIF and BinaryCIF, and to validate mmCIF files.
  • A utility script util/make-mmcif.py has been added which can add minimal ModelCIF-related tables to an mmCIF file, to add in deposition.
  • The reader is now more robust when handling files that are not ModelCIF compliant (#31).
  • The exptl table is no longer written to output mmCIF files, to conform with wwPDB's recommendation. Instead, the struct.pdbx_structure_determination_methodology data item denotes that the model is computational (#29).

Full Changelog: 0.6...0.7

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