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glyanno 0.6.0

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@fubin1999 fubin1999 released this 22 Jul 16:21

New features

  • New enhance_struc_denovo() reconstructs topological N-glycans and falls back to the topological database when reconstruction is not possible. (#16, #17, #18)

Breaking changes

  • Remove fill_anomer_pos() from the exported namespace. Use glyrepr::fill_anomer_pos() instead. (#15)

Minor improvements and bug fixes

  • enhance_struc() now accepts duplicated input structures, preserves their order and per-occurrence results, and matches each unique non-missing structure only once. (#21)
  • calculate_mz(), comp_to_struc(), enhance_comp(), and mz_to_comp() now process vector inputs substantially faster by reusing prepared databases and direct lookups. (#20)
  • struc_to_glytoucan() now looks up accessions from glydb::glydb_data first and only falls back to the online GlycanFormatConverter API for missing structures. (#14)