David Cosgrove
David Cosgrove
#### Reference Issue Fixes #5486 #### What does this implement/fix? Explain your changes. Trans double bonds in rings were being drawn crossed. Now treats them as non-ring bonds. #### Any...
**Describe the bug** Trans double bonds in large rings are being drawn crossed.   **To Reproduce** **Expected behavior** Not crossed bonds. **Screenshots** If applicable, add screenshots to help explain...
#### Reference Issue No Issue #### What does this implement/fix? Explain your changes. This PR improves the way bond highlights are drawn. 1. If using the default continuousHighlight, it mitres...
**Describe the bug** Reading in a V3000 file, single bonds with CFG=2 (stereo either) lose that information. The bond is neither drawn wavy nor output to a new mol block...
Hi, I am calling CoordGen via RDKit, and have had a problem with constrained generation of coords for a rapamycin analogue using rapamycin as the template. The discussion is here:...
**Describe the bug** I applied the rdMolStandardize.NormalizeInPlace method to an odd but valid 5-membered heterocycle and got a non-kekulizable molecule. **To Reproduce** ``` from rdkit import Chem from rdkit.Chem.MolStandardize import...
#### Reference Issue No issue. #### What does this implement/fix? Explain your changes. Further testing of the new exactConnectionsMatch option for RASCAL revealed that the MCES sometimes gave incomplete results...
#### Reference Issue Fixes #7570 #### What does this implement/fix? Explain your changes. The drawing code displays a complex query atom as a "?", but without the map number which...
**Describe the bug** When drawing a reaction, complex query atoms are shown as a "?" but without the map number, so the picture doesn't correctly show the reaction. **To Reproduce**...
#### Reference Issue Fixes #7654 #### What does this implement/fix? Explain your changes. If a hetero atom is highlighted by a background colour it is drawn in black rather than...