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fix(deps): update dependency gemmi to >=0.7.3, <=0.7.4#112

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fix(deps): update dependency gemmi to >=0.7.3, <=0.7.4#112
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renovate/gemmi-0.x

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@renovate renovate bot commented Nov 23, 2025

This PR contains the following updates:

Package Change Age Confidence
gemmi >=0.7.3, <=0.7.3>=0.7.3, <=0.7.4 age confidence

Release Notes

project-gemmi/gemmi (gemmi)

v0.7.4: 0.7.4

Compare Source

Library

  • Add calculation of hydrogen bonds according to the venerable DSSP method
    (implementation of the whole DSSP method was considered, attempted and postponed)
  • Add reading of MRC map in mode 12 (float16_t)
    (using the half library that's now bundled with gemmi)
  • bundled third-party libs: updated fast_float
    and added https://sourceforge.net/projects/half
  • Calculating anomalous maps (f") from a model
  • gemmi <-> mmdb conversion: handle SEQRES
  • to_mmcif: populate more items in _struct_ref_seq.
  • to_pdb: to preserve original letter casing of modres.mod_id
  • mmcif: read _em_3d_reconstruction.resolution into Structure::resolution
  • Add a function populate_structure_from_block() (#​383)
  • cif.hpp: keywords loop_, global_ and stop_ can be part of unquoted strings
    (stop_ is a keyword, but stop_it is not)
  • Added Intensities::merged()
  • Added add 6 PYR residues to the internal ResInfo table
  • In add_hydrogens_without_positions(): tweaked how occupancies of neighbouring
    atoms are considered
  • Tweaked determine_cutoff_radius() in dencalc.hpp

Programs

  • blobs: can be called with a map instead of map coefficients
  • h: add option --d-fract=FRACT (#​385) that adds atoms as H/D mix,
    with the given deuterium fraction.
  • sf2map: add option --pow which outputs, for instance, a Pattterson map
  • contact: add option --asus that list asymmetric units that are in contact with 1_555,
    not individual contacts.
  • sfcalc: Add support for writing anomalous structure factors (FCanom and PHICanom columns)
    to MTZ files alongside regular structure factors.
  • fix: gemmi convert --add-tls didn't work for mmCIF input

Python

  • Added a small utility fetch.py to fetch files from the PDB:
    can be used as python -m gemmi.fetch 3abc
  • Added read_structure_string()
  • Added bindings to misc C++ functions
  • Added FlatStructure that exposes coordinate data in a single table

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This PR was generated by Mend Renovate. View the repository job log.

@renovate renovate bot added the version label Nov 23, 2025
@renovate renovate bot changed the title chore(deps): update dependency gemmi to >=0.7.3, <=0.7.4 fix(deps): update dependency gemmi to >=0.7.3, <=0.7.4 Feb 12, 2026
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