Published July 3, 2020
| Version Release_2020_03_4
Software
Open
rdkit/rdkit: 2020_03_4 (Q1 2020) Release
Creators
- Greg Landrum
- Paolo Tosco
- Brian Kelley
- sriniker
- gedeck
- Riccardo Vianello
- NadineSchneider
- Ric
- Andrew Dalke
- Dan N1
- Brian Cole
- Eisuke Kawashima
- Samo Turk
- Matt Swain2
- AlexanderSavelyev
- Alain Vaucher3
- David Cosgrove4
- Maciej Wójcikowski
- Daniel Probst5
- guillaume godin6
- Axel Pahl7
- Francois Berenger8
- JLVarjo
- strets123
- JP
- DoliathGavid
- Gianluca Sforna
- Jan Holst Jensen
- Patrick Fuller9
- Noel O'Boyle
- 1. @schrodinger
- 2. Vernalis Research
- 3. IBM Research
- 4. CozChemIx Limited
- 5. @reymond-group
- 6. @firmenich
- 7. MPI of Molecular Physiology (Dortmund)
- 8. Kyushu Institute of Technology
- 9. NuMat Technologies
Description
Release_2020.03.4
(Changes relative to Release_2020.03.3)
Acknowledgements:David Cosgrove, Brian Kelley, Ricardo Rodriguez Schmidt, 'paconius'
Bug Fixes:- Attachment point info not being read from V2000 mol blocks (github #3207 from greglandrum)
- Lines in wedge bonds being drawn too closely together (github #3226 from paconius)
- EnumerateStereochemistry should clear CIP labels (github #3231 from greglandrum)
- lock CI cairo version to force an install from the rdkit repo (github #3240 from greglandrum)
- XBCORR and XBHEAD in Sgroups no longer cause parse failures (github #3242 from greglandrum)
- LINKNODEs are ignored by the CTAB parsers (github #3247 from greglandrum)
- add GetStringVectProp() to SubstanceGroup class (github #3251 from greglandrum)
- Draw.MolsToGridImage repeating atom indices (github #3258 from greglandrum)
Files
rdkit/rdkit-Release_2020_03_4.zip
Files
(62.4 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2020_03_4 (URL)