github biotite-dev/biotite v0.35.0
Biotite 0.35.0

latest releases: v0.40.0, v0.39.0, v0.38.0...
19 months ago

Changelog

Additions

  • Support stack-wise iteration over trajectory files (#420)
  • Support Path objects in File.read()
  • Improved filters for different types of residues in structure subpackage (#425)
    • filter_amino_acids() now also filters for non-canonical amino acids
    • filter_nucleotides() uses an updated list of nucleotides
    • New filter_carbohydrates() filters for saccharides
    • filter_canonical_amino_acids() and filter_canonical_nucleotides() filter the respective canonical residues
    • New structure.info.carbohydrate_names() and structure.info.amino_acid_names() give a list of residue names considered as carbohydrates and amino acids, respectively
  • application.LocalApp now supports input to STDIN
  • Improved ViennaRNA interfaces (#435)
    • Added application.viennarna.RNAalifoldApp interface to RNAalifold
    • Secondary structure constraints can be given to application.viennarna.RNAfoldApp and application.viennarna.RNAalifoldApp

Changes

  • The residues that are recognized by structure.filter_amino_acids() have changed (see above)
  • Deprecated application.viennarna.RNAfoldApp.get_mfe() and replaced it by application.viennarna.RNAfoldApp.get_free_energy()

Fixes

  • Support PDB format dialect with inverted charge column (X+ instead of +X)
    in structure.io.PDBFile(#421)
  • Fixed erroneous atom parsing in strutcure.io.mmtf.MMTFFile, if an MMTF file
    has multiple different groupType entries for the same residue name and the same number of atoms (#426)
  • Fixed angle condition in structure.base_stacking() (#432)
  • Fixed TypeError in database.muscle.Muscle5App
  • Fixed bond_line_style parameter in structure.graphics.plot_secondary_structure()
  • Fixed error in pseudoknots() and base_pairs_from_dot_bracket() in cases the secondary structure had no base pairs
  • Update identification of error messages from server in database.entrez.fetch()

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