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@dependabot dependabot bot commented on behalf of github Apr 28, 2025

Bumps ihm from 2.2 to 2.5.

Release notes

Sourced from ihm's releases.

python-ihm 2.5 release

  • Assemblies are now checked at file-output time to ensure that each asym referenced in an assembly is represented by atoms and/or spheres in at least one model (#165).
  • make_mmcif has a new --check_atom_names option which, if set, will check for any non-canonical atom names (#166).
  • pip install should no longer fail to install if the C extension module cannot be built; it will fall back to use the slower pure Python implementation.

Full Changelog: ihmwg/python-ihm@2.4...2.5

python-ihm 2.4 release

  • Add support for fits of model groups or ensembles to cross-links using the new ihm.restraint.CrossLinkGroupFit class.

Full Changelog: ihmwg/python-ihm@2.3...2.4

python-ihm 2.3 release

  • The C-accelerated BinaryCIF parser now supports interval quantization encoding and a wider range of data types.
  • make_mmcif now has a new --histidines option to convert any non-standard histidine names to HIS (#164).
  • Bugfix: don't change name or description of the complete assembly in make_mmcif.
  • Bugfix: if ihm.reference.SeqDif is used to annotate an insertion or deletion, don't erroneously claim the alignment is incorrect.

Full Changelog: ihmwg/python-ihm@2.2...2.3

Changelog

Sourced from ihm's changelog.

2.5 - 2025-04-25

  • Assemblies are now checked at file-output time to ensure that each asym referenced in an assembly is represented by atoms and/or spheres in at least one model (#165).
  • make_mmcif has a new --check_atom_names option which, if set, will check for any non-canonical atom names (#166).
  • pip install should no longer fail to install if the C extension module cannot be built; it will fall back to use the slower pure Python implementation.

2.4 - 2025-03-25

  • Add support for fits of model groups or ensembles to cross-links using the new :class:ihm.restraint.CrossLinkGroupFit class.

2.3 - 2025-03-13

  • The C-accelerated BinaryCIF parser now supports interval quantization encoding and a wider range of data types.
  • make_mmcif now has a new --histidines option to convert any non-standard histidine names to HIS (#164).
  • Bugfix: don't change name or description of the complete assembly in make_mmcif.
  • Bugfix: if :class:ihm.reference.SeqDif is used to annotate an insertion or deletion, don't erroneously claim the alignment is incorrect.
Commits
  • 84316fc Prepare for 2.5 release
  • d4c45e6 Use assembly's Python object ID, not _id attribute
  • 6a2f30e Put back --without-ext command line setup.py option
  • 7301526 Fix module name
  • 445f67f Check canonical atoms in OK file too
  • 4874f6a Add option to query CCD for non-standard residues
  • 19f192a Move non-canonical atom name check to make_mmcif
  • d3d3e78 Remove license classifier
  • e06fd2d Make C extension non-optional for RPM, .deb builds
  • abef471 Revert "Test C extension in basic install test"
  • Additional commits viewable in compare view

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Bumps [ihm](https://github.com/ihmwg/python-ihm) from 2.2 to 2.5.
- [Release notes](https://github.com/ihmwg/python-ihm/releases)
- [Changelog](https://github.com/ihmwg/python-ihm/blob/main/ChangeLog.rst)
- [Commits](ihmwg/python-ihm@2.2...2.5)

---
updated-dependencies:
- dependency-name: ihm
  dependency-version: '2.5'
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Apr 28, 2025
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