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glyparse 0.7.0

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@fubin1999 fubin1999 released this 06 Jul 08:56
v0.7.0
a2a9426

New features

  • auto_parse() now detects GlyCAM IUPAC, IUPAC-compact, KCF, and LINUCS structures and routes them to the corresponding parser (#26, #28, #30, #31).
  • Parser functions gain a progress argument for opt-in progress bars when parsing large inputs (#29).
  • New parse_glycam_iupac() parses GlyCAM IUPAC structures (#25, #27).
  • New parse_iupac_compact() parses IUPAC-compact structures (#28).
  • New parse_kcf() parses KCF structures (#30).
  • New parse_linucs() parses LINUCS structures (#31).

Minor improvements and bug fixes

  • parse_glycoct() now accepts space-separated GlycoCT records, such as records stored in CSV exports (#24).
  • parse_glycoct() now parses GlycoCT alditol residues as regular reducing-end glycans with unknown anomer configurations (#22).
  • parse_glycoct() now supports generic GlycoCT HEX, N-acetylated HEX, deoxy-HEX, and sialic acid descriptors, including direct n-sulfate substituents on amino sugars (#24).
  • parse_wurcs() now parses WURCS alditol residues as regular reducing-end glycans with unknown anomer configurations (#21).
  • parse_wurcs() now supports additional generic residue descriptors, ambiguous sialic acid descriptors, and uppercase residue IDs for large structures (#23).
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