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@github-actions github-actions released this 23 Apr 09:54
· 62 commits to master since this release

MolecularGraph v0.14.0

Diff since v0.13.0

Closed issues:

  • structure image grid (#24)
  • Atom color set (#49)
  • Breaking changes in v0.10.0 (#58)
  • V3000 format (#60)
  • UndefVarError: libcoordgen not defined when drawing a molecule (#68)
  • RDKit GetMolFrags equivalent? (#73)
  • How does one go about generating the 3D visualization? (#74)
  • bond aromaticity not stored in SmilesBond (#75)
  • Bump minimum Julia requirement to 1.6 (#80)
  • MolecularGraph.Graph -> Graphs.jl (#81)
  • sethighlight! doesn't work on single carbon atoms in skeletal notation (#82)
  • How are SMILES atoms parsed to the indices used in MolecularGraph? (#84)
  • How can I add a bond between two fragments, given their fragment indices? (#85)
  • precalculate! doesn't cache isaromatic(mol::MolGraph) property. (#86)
  • Update and expand 3D display functions? (#88)

Merged pull requests: