[Rdkit-devel] 2013.09.2 (Q3 2013) RDKit release
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2014-01-28 03:37:28
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Dear all, I've just created the files for the 2013.09.2 release of the RDKit. This is purely a bug-fix release and contains no new features. The release notes are below. The source release is on the sourceforge downloads page: http://sourceforge.net/projects/rdkit/files/rdkit/Q3_2013/ and directly from github: https://github.com/rdkit/rdkit/archive/Release_2013_09_2.tar.gz Google code no longer accepts new uploads, so the files are not accessible from there. I will uploaded 32-bit and 64-bit Windows binaries for Python 2.7 and Java to the sourceforge page later today. Thanks to the everyone who submitted bug reports and patches for this release! Best Regards, -greg ****** Release_2013.09.2 ******* (Changes relative to Release_2013.09.2) Acknowledgements: Andrew Dalke, JP Ebejer, Daniel Moser, Sereina Riniker, Roger Sayle, Manuel Schwarze, Julia Weber Bug Fixes: - cannot pickle unsanitized molecules (github issue 149) - Problems reading PDB files when locale is DE (github issue 170) - calling RWMol::clear() leaves property dict empty (github issue 176) - zero atom molecule generates exception in MolToSmiles when rootedAtAtom is provided (github issue 182) - bond orders not being set when PDB files are read (github issue 194) - GenMACCSKeys() raises an exception with an empty molecule (github issue 195) - left-justified SDF bond topology of "0" raises an unexpected exception (github issue 196) |