2021_09_4 (Q3 2021) Release
greglandrum
released this
11 Jan 03:42
·
24 commits
to Release_2021_09
since this release
Release_2021.09.4
(Changes relative to Release_2021.09.3)
Acknowledgements
Kevin Burk, Gareth Jones, Toshiki Kataoka, Brian Kelley, Ricardo
Rodriguez-Schmidt, Paolo Tosco, Rachel Walker
Bug Fixes:
- Highlight bond width is different for different PNG image sizes
(github #4764 from rachelnwalker) - AdjustQueryProperties() is inconsistent when adjustConjugatedFiveRings is set
(github #4789 from greglandrum) Draw.MolToFile
to SVG raises "Can't kekulize" error
(github #4792 from toslunar)- Ring double bonds written as crossed bonds after RGD
(github #4809 from greglandrum) - Fix a number of crashing bugs in the python wrappers
(github #4810 from greglandrum) - correctly tag unspecified branch-begin bonds in SMARTS
(github #4811 from greglandrum) - AttributeError in PandasTools
(github #4821 from greglandrum) - reloading PandasTools leads to infinite recursion
(github #4823 from greglandrum) - ReplaceCore should set stereo on ring bonds when it breaks rings
(github #4825 from greglandrum) - MolDraw2D::drawArc() starts at wrong angle
(github #4836 from greglandrum) - MolDraw2D::drawArc() not exposed to Python
(github #4837 from greglandrum) - align argument to MolDraw2D::DrawString() cannot be used from Python
(github #4838 from greglandrum) - Fix RunFilterCatalog() thread counts.
(github #4856 from xavierholt) - RGD: dummy atom in input structure is mishandled
(github #4863 from jones-gareth) - Fix bug with wedges being drawn backwards
(github #4868 from greglandrum)