[Corrected links below. Thanks to Eddie for pointing out the mistake]
On Sun, Jul 28, 2013 at 12:33 PM, Greg Landrum <greg.land...@gmail.com>wrote:
> Dear all,
>
> I'm pleased to announce that the next version of the RDKit -- 2013.06
> (a.k.a Q2 2013) -- is released. This one is "a bit" late due to my travel
> schedule. Better late than never.
>
> The release notes are below.
>
> The source release is on the sourceforge downloads page:
> http://sourceforge.net/projects/rdkit/files/rdkit/Q2_2013/
> The files can also be downloaded from the google project page:
> http://code.google.com/p/rdkit/downloads/list
> I will be uploading 32-bit and 64-bit Windows binaries for Python 2.7
> later today.
>
> The online version of the documentation at rdkit.org has been updated.
>
> Thanks to the everyone who submitted bug reports and suggestions for
> this release!
>
> Please let me know if you find any problems with the release or have
> suggestions for the next one.
>
> Best Regards,
> -greg
>
>
> ****** Release_2013.06.1 *******
> (Changes relative to Release_2013.03.2)
>
> Administrivia note:
> In the course of this release cycle, development was moved over
> entirely to github. The sourceforge svn repository no longer contains
> an up-to-date version of the code.
>
> Acknowledgements:
> Andrew Dalke, JP Ebejer, Nikolas Fechner, Roger Sayle, Riccardo Vianello,
> Yingfeng Wang, Dan Warner
>
> Bug Fixes:
> - The docs for Descriptors.MolWt are now correct (GitHub #38)
> - Molecules coming from InChi now have the correct molecular
> weight. (GitHub #40)
> - RemoveAtoms() no longer leads to problems in canonical SMILES
> generation when chiral ring atoms are present. (GitHub #42)
> - Atom invariants higher than the number of atoms in the molecule can
> now be provided to the atom pairs and topological torsions
> fingerprinters. (GitHub #43)
> - A typo with the handling of log levels was fixed in the python
> wrapper code for InChI generation. (GitHub #44)
> - Stereochemistry no longer affects canonical SMILES generation if
> non-stereo SMILES is being generated. (GitHub #45)
> - The ExactMolWt of [H+] is no longer zero. (GitHub #56)
> - The MPL canvas now has an addCanvasDashedWedge() method. (GitHub
> #57)
> - RWMol::insertMol() now copies atom coordinates (if
> present). (GitHub #59)
> - The "h" primitive in SMARTS strings now uses the method
> getTotalNumHs(false) instead of getImplicitValence().
> (GitHub #60)
> - bzip2 files now work better with the SDWriter class. (GitHub #63)
> - a crashing bug in InChI generation was fixed. (GitHub #67)
>
> New Features:
> - Sanitization can now be disabled when calling GetMolFrags() from
> Python (GitHub #39)
> - Bond.GetBondTypeAsDouble() has been added to the python
> wrapper. (GitHub #48)
> - The fmcs code now includes a threshold argument allowing the MCS
> that hits a certain fraction of the input molecules (instead of all
> of them) to be found. The code has also been synced with the most
> recent version of Andrew Dalke's version.
> - Atoms now have a getTotalValence() (GetTotalValence() from Python)
> method. (GitHub #61)
> - R labels from Mol files now can go from 0-99
> - chiral flags in CTABs are now handled on both reading and writing.
> The property "_MolFileChiralFlag" is used.
>
>
> New Database Cartridge Features:
>
> New Java Wrapper Features:
> - {Get,Set}Prop() methods are now available for both Atoms and
> Bonds. (GitHub #32)
>
>
> Deprecated modules (to be removed in next release):
>
> Removed modules:
> - rdkit.utils.pydoc_local
>
> Other:
> - the handling of flex/bison output files as dependencies has been
> improved (GitHub #33)
> - the molecule drawing code should now also work with pillow (a fork of
> PIL)
> - the PANDAS integration has been improved.
>
>
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