November was a productive month, with a pile of fixes and enhancements leading towards the next release.
Here’s what’s happening this month:
Feature Enhancements:
- Add an initial conformer property window by ghutchis · Pull Request #1837 · OpenChemistry/avogadrolibs · GitHub
- Parse more MOPAC aux properties including coordinates by ghutchis · Pull Request #1843 · OpenChemistry/avogadrolibs · GitHub
- Add a quick "change elements" command (e.g., setting to dummy) by ghutchis · Pull Request #1863 · OpenChemistry/avogadrolibs · GitHub
- Add support for atom and bond labels in the property tables by ghutchis · Pull Request #1871 · OpenChemistry/avogadrolibs · GitHub
- Improve spectra plots, including UV, CD and NMR by ghutchis · Pull Request #1874 · OpenChemistry/avogadrolibs · GitHub
- Port molecular orbital table from Avogadro v1 by ghutchis · Pull Request #1888 · OpenChemistry/avogadrolibs · GitHub
Bug Fixes:
- Improve python selection dialog by ghutchis · Pull Request #1844 · OpenChemistry/avogadrolibs · GitHub
- Fix crashing with dipole moment by ghutchis · Pull Request #1847 · OpenChemistry/avogadrolibs · GitHub
- Fixing Molecular orbital rendering with Flying Edges by perminder-17 · Pull Request #1853 · OpenChemistry/avogadrolibs · GitHub
- Fix both the manipulate and label tool to rotate / navigate by default by ghutchis · Pull Request #1861 · OpenChemistry/avogadrolibs · GitHub
- Revert the deferred start for forcefields by ghutchis · Pull Request #1873 · OpenChemistry/avogadrolibs · GitHub
- Fix for problem accessing plugin list by ghutchis · Pull Request #1879 · OpenChemistry/avogadrolibs · GitHub
- Tweak the centroid commands by ghutchis · Pull Request #1891 · OpenChemistry/avogadrolibs · GitHub
- Only enable PQR search if site is up by ghutchis · Pull Request #1892 · OpenChemistry/avogadrolibs · GitHub
- Add progress bar for optimizations, including cancel by ghutchis · Pull Request #1893 · OpenChemistry/avogadrolibs · GitHub
- Allow surface generation to be cancelled by ghutchis · Pull Request #1894 · OpenChemistry/avogadrolibs · GitHub
- Allow ions for all Open Babel force fields and radicals for UFF by ghutchis · Pull Request #1895 · OpenChemistry/avogadrolibs · GitHub
- Tweak atom and bond removal by ghutchis · Pull Request #1896 · OpenChemistry/avogadrolibs · GitHub
Speed Improvements:
- WIP: Cache Open Babel formats, force fields and charges by ghutchis · Pull Request #1790 · OpenChemistry/avogadrolibs · GitHub
- Tidy up SVG tool icons by matterhorn103 · Pull Request #1886 · OpenChemistry/avogadrolibs · GitHub
Build Improvements: