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v0.5.0: Covalent bonds, glycans, and improved MSA pairing

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@jackdent jackdent released this 05 Dec 01:29
· 18 commits to main since this release
cf7bf51

What's Changed

Major changes

  • Support for specifying covalent bonds and glycans by @wukevin in #205
  • Improve colabfold MSAs to include unpaired MSA hits by @wukevin in #213

Minor changes

  • Don't warn on missing MSAs for non-protein entities. by @wukevin in #209
  • Helper to sort StructureCandidates object by @wukevin in #208
  • Fix case where empty list is passed to colabfold MSA generation by @wukevin in #212
  • Add test for ion charge by @wukevin in #214

Full Changelog: v0.4.4...v0.5.0