Published December 12, 2014
| Version Release_2014_09_2
Software
Open
rdkit: 2014_09_2 (Q3 2014) Patch Release
Authors/Creators
- 1. Department of Drug Science and Technology, University of Turin
- 2. BioMed X GmbH
- 3. NuMat Technologies
- 4. EMBL-EBI
- 5. Acpharis
- 6. InhibOx
- 7. Northeastern University
Description
****** Release_2014.09.2 ******* (Changes relative to Release_2014.09.1)
Acknowledgements: Sereina Riniker, Nadine Schneider, Paolo Tosco
Bug Fixes:
- SMILES parser doing the wrong thing for odd dot-disconnected construct (github issue #378)
- O3A code generating incorrect results for multiconformer molecules (github issue #385)
- Suppliers probably not safe to read really large files (github issue #392)
- Torsion constraints not worrking properly for negative torsions (github issue #393)
- Core leak in reactions (github issue #396)
Files
rdkit-Release_2014_09_2.zip
Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2014_09_2 (URL)