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Biotite 1.6.0

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@padix-key padix-key released this 22 Jan 16:45
· 23 commits to main since this release
f29c22d

Changelog

Additions

  • Added support for Linux ARM 64 (aarch64) builds. (#851)
  • Added structure.filter_heavy() to filter non-hydrogen atoms. (#845)
  • Added sequence.io.fasta.get_a3m_alignments() and sequence.io.fasta.set_a3m_alignments() for reading and writing alignments in A3M format. (#848)
  • Improved performance for database.rcsb.fetch()
    • Added support for gzipped downloads via new gzip parameter. (#841)
    • Fetching multiple entries uses a persistent HTTP connections to speed up multiple consecutive downloads. (#842)
    • Removed time consuming error response checking. (#852)
  • Improved efficiency of structure.filter_intersection(). (#849)

Changes

  • String representations of structure.AtomArray and structure.AtomArrayStack are now abbreviated to improve readability for large structures. (#835)

Fixes

  • Fixed structure.find_stacking_interactions() and find_pi_cation_interactions() somteimes miss interaction. (#839)
  • Fixed unnecessary numpy.ndarray initialization when and structure.AtomArray or structure.AtomArrayStack is indexed. (#840)
  • Fixed structure.io.pdbx.get_assembly() removing inter-chain bonds. (#843)
  • Fixed compatibility with numpy >= 2.4. (#850)