Dear all,
I've just completed assembling a patch to the 2014.09 rdkit release that
fixes a number of bugs, including a significant memory leak in the chemical
reaction handling..
The release notes are below.
The release and binary files are on the github release page:
https://github.com/rdkit/rdkit/tree/Release_2014_09_2
as well as the sourceforge downloads page:
http://sourceforge.net/projects/rdkit/files/rdkit/Q3_2014/
I have uploaded 32-bit and 64-bit Windows binaries for Python 2.7 along
with 32-bit and 64-bit Windows binaries for Java.
Riccardo and I are working on updating the binaries available from the
RDKit channel on binstar:
https://conda.binstar.org/rdkit
Gianluca has produced binary RPMs for Fedora 20, 21 and RHEL/Centos 6, 7,
which are available from:
https://copr.fedoraproject.org/coprs/giallu/rdkit/
Many thanks to everyone who has helped get this release together!
Best Regards,
-greg
****** Release_2014.09.2 *******
(Changes relative to Release_2014.09.1)
Acknowledgements:
Sereina Riniker, Nadine Schneider, Paolo Tosco
Bug Fixes:
- SMILES parser doing the wrong thing for odd dot-disconnected construct
(github issue #378)
- O3A code generating incorrect results for multiconformer molecules
(github issue #385)
- Suppliers probably not safe to read really large files
(github issue #392)
- Torsion constraints not worrking properly for negative torsions
(github issue #393)
- Core leak in reactions
(github issue #396)
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