Published February 5, 2017
| Version Release_2016_09_4
Software
Open
rdkit/rdkit: 2016_09_4 (Q3 2016) Release
Creators
- Greg Landrum
- Brian Kelley
- Paolo Tosco
- sriniker
- NadineSchneider
- Riccardo Vianello
- gedeck
- adalke
- AlexanderSavelyev
- Samo Turk1
- Matt Swain
- JP
- strets123
- JLVarjo
- Axel Pahl2
- Patrick Fuller3
- DoliathGavid
- Maciej Wójcikowski
- Gianluca Sforna
- Brian Cole
- Michał Nowotka4
- pzc
- Jan Holst Jensen
- David Cosgrove5
- Jan Domański
- David Hall6
- baoilleach
- Wolf-Guido Bolick
- nhfechner
- Christos Kannas
- 1. BioMed X GmbH
- 2. MPI of Molecular Physiology (Dortmund)
- 3. NuMat Technologies
- 4. EMBL-EBI
- 5. CozChemIx Limited
- 6. Acpharis
Description
Release_2016.09.4
(Changes relative to Release_2016.09.3)
Acknowledgements:Chris Earnshaw, Peter Gedeck, Brian Kelley, Paolo Tosco, 'i-tub'
Bug Fixes:- Remove deprecated string module functions (github pull #1223 from gedeck)
- Turns on -fpermissive for gcc >= 6 and boost < 1.62 (github pull #1225 from bp-kelley)
- FindPotentialStereoBonds() failure (github issue #1230 from greglandrum)
- fixed build failure on Windows due to missing link to library (github pull #1241 from ptosco)
- MolFromMolBlock sanitizing when it should not be (github issue #1251 from greglandrum)
- PMI descriptors incorrect (github issue #1262 from greglandrum)
- Reactions don't modify isotope unless chemical element is specified for the product (github issue #1266 from i-tub)
Files
rdkit/rdkit-Release_2016_09_4.zip
Files
(28.1 MB)
| Name | Size | Download all |
|---|---|---|
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md5:3d4ce026183c935388b810d31757507f
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28.1 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2016_09_4 (URL)