Published June 4, 2018
| Version Release_2018_03_2
Software
Open
rdkit/rdkit: 2018_03_2 (Q1 2018) Release
Authors/Creators
- Greg Landrum
- Brian Kelley
- Paolo Tosco
- sriniker
- gedeck
- NadineSchneider
- Riccardo Vianello
- Andrew Dalke
- AlexanderSavelyev
- Samo Turk
- Matt Swain
- Brian Cole
- Alain Vaucher
- Maciej Wójcikowski
- Axel Pahl1
- JP
- strets123
- JLVarjo
- Patrick Fuller2
- DoliathGavid
- Noel O'Boyle
- David Cosgrove3
- Gianluca Sforna
- Michał Nowotka4
- pzc
- Jeff van Santen
- Jan Holst Jensen
- Jan Domański
- David Hall5
- Patrick Avery6
- 1. MPI of Molecular Physiology (Dortmund)
- 2. NuMat Technologies
- 3. CozChemIx Limited
- 4. EMBL-EBI
- 5. Acpharis
- 6. University at Buffalo
Description
Release_2018.03.2
(Changes relative to Release_2018.03.1)
Acknowledgements:Brian Kelley, Dan Nealschneider, Noel O'Boyle, Stephen Roughley, Roger Sayle, Paulo Tosco
Bug Fixes:- Feature request: #defines to test RDKit version (github issue #1454 from baoilleach)
- SMARTS parse failure for some queries involving Hs (github issue #1719 from greglandrum)
- allow libs to not be installed (github pull #1832 from greglandrum)
- RWMol::addAtom(Atom,bool) missing from Java wrappers (github issue #1837 from greglandrum)
- RWMol::clear now calls ROMol::initMol (github pull #1844 from bp-kelley)
- Allow types.h to be included in applications that use /D_USE_MATH_DEFINES (github pull #1846 from d-b-w)
- Fixes failing Python tests on Windows (github pull #1855 from ptosco)
- Allow building on cygwin using -std=c++11 (github pull #1856 from greglandrum)
- Stop using the cmake Boost:: targets (github pull #1858 from greglandrum)
Files
rdkit/rdkit-Release_2018_03_2.zip
Files
(31.6 MB)
| Name | Size | Download all |
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md5:1dd02165d9695978bb63bd90b60af241
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31.6 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2018_03_2 (URL)