v0.14.0
MolecularGraph v0.14.0
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:
- Commented checks for atom visibility (issues/82) (#83) (@Boxylmer)
- Expand 3D drawing utilities (#90) (@tmcgrath325)