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Rdkit/Rdkit: 2016_03_5 (Q1 2016) Release

This paper is available in a repository.
This paper is available in a repository.

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Abstract

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)