Published October 10, 2016
| Version Release_2016_03_5
Software
Open
rdkit/rdkit: 2016_03_5 (Q1 2016) Release
Creators
- Greg Landrum
- Brian Kelley
- Paolo Tosco
- sriniker
- NadineSchneider
- Riccardo Vianello
- adalke
- AlexanderSavelyev
- Samo Turk1
- strets123
- JP
- JLVarjo
- Axel Pahl2
- DoliathGavid
- Patrick Fuller3
- gedeck
- Maciej Wójcikowski
- Matt Swain
- pzc
- Michał Nowotka4
- Gianluca Sforna
- Jan Holst Jensen
- baoilleach
- David Hall5
- Wolf-Guido Bolick
- nhfechner
- Jan Domański
- DavidACosgrove
- J Bach Hardie4
- Kozo Nishida6
- 1. BioMed X GmbH
- 2. MPI of Molecular Physiology
- 3. NuMat Technologies
- 4. EMBL-EBI
- 5. Acpharis
- 6. RIKEN
Description
Release_2016.03.5
(Changes relative to Release_2016.03.4)
Acknowledgements:Piotr Dabrowski, Markus Metz, Stephen Roughley, Riccardo Vianello
Bug Fixes:- GetSSSR interrupts by segmentation fault (github issue #1023 from PiotrDabr)
- typos in MMPA hash code (github issue #1044 from greglandrum)
- Bond::BondDir::EITHERDOUBLE not exposed to python (github issue #1051 from greglandrum)
- Fix leak with renumberAtoms() in the SWIG wrappers (github pull #1064 from greglandrum)
- computeInitialCoords() should call the SSSR code before it calls assignStereochemistry() (github issue #1073 from greglandrum)
Files
rdkit/rdkit-Release_2016_03_5.zip
Files
(27.4 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:e3b5ddd68703474f11d3cb77148d467b
|
27.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2016_03_5 (URL)