github biotite-dev/biotite v0.14.0
Biotite 0.14.0

latest releases: v1.0.1, v1.0.0, v0.41.2...
5 years ago

Changelog

Additions

  • Added convenience functions for chains, similar to the functions for residues
    • Added get_chain_starts()
    • Added get_chains()
    • Added get_chain_count()
    • Added chain_iter()
  • Revamped interface for GenBank files
    • sequence.io.genbank.GenBankFile provides a low-level API for obtaining field names and the corresponding lines and subfields
    • sequence.io.genbank.GenBankFile is now used for both GenBank and GenPept files
    • High level objects are obtained via module-level functions
      • get_locus(), get_definition(), get_accession(), get_version(), get_gi(), get_source(), get_db_link(), get_annotation(), get_sequence() and get_annotated_sequence() are now functions sequence.io.genbank
    • Added set_locus(), set_annotation(), set_sequence(), set_annotated_sequence(), to sequence.io.genbank for creating and editing GenBank files

Changes

  • structure.dihedral_backbone() does not require a chain ID anymore
    • The dihedrals are automatically calculated over all chains
    • Dihedrals at the transition of one chain to the next one are NaN
  • Completely changed usage of sequence.io.genbank.GenBankFile (see above)

Fixes

  • Atom IDs above 99999 and residue IDs above 9999 do not break writing structure.io.gro.GROFile
    • In case of overflow, the ID restarts at 1
  • Dummy boxes in .gro files are not converted into a real box attribute of a structure.AtomArray anymore
  • When creating a sequence.Alignment from strings, it is checked whether at least to strings (sequences) are given
  • Fixed annotation equality checks when setting an structure.AtomArrayStack element with an structure.AtomArray
  • Fixed indexing a sequence.AnnotatedSequence with a sequence.Feature containing multiple locations
    • Previously the locations were merged in a random order resulting in wrong sequence.Sequence objects

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