Hi all,

a quick notice that CDK 1.2.0 has been released. Since 1.1.5 mostly
bug fixing happened, except for the addition of a SDFWriter class
which supersedes the functionality of MDLWriter which no longer writes
SD file, resulting in cleaner code and more consistent behavior. Also,
the FingerPrinter and CDKAtomTypeMatcher have seen some improvements
in the input they handle, which does mean that if you use indices in
your code (fingerprint, aromaticity based), you will need to update
those.

For the rest, several bugs reported by beta tester have been fixed,
and I want to particularly like to thank the users who reported
problems they found, including but not limited to Peter and Andrew.

This release is again a milestone in the CDK project, though maybe not
as large as the 1.0 release. The 1.2 release has seen many
improvements of 1.0, including isolated atom type perception, a SMARTS
parser, a much more stable SMILES parser, and much more consistent
API. The release of 1.2.0 also means that the 1.0.x series is no
longer formally supported (EOL= end of life). 1.2 fixes many bugs in
1.0, and everyone is strongly recommended to upgrade, and this user
mailing list is to ask for help on porting your 1.0 application to the
1.2 library, as there are API changes.

The release also marks another important event. From yesterday on, the
CDK library development has stopped in being performed in Subversion,
but is now using a Git repository on SourceForge [0,1,2]. If you were
typically using the latest from the repository, you will have to start
using Git. While Git has a steeper learning curve, it is a bless to
the developers.

As always, this likely leaves enough questions, and looking forward to
answering them.

Egon

0.http://sourceforge.net/mailarchive/forum.php?thread_name=6aeb064b0903120510o5622c826gfa2448d56859dba7%40mail.gmail.com&forum_name=cdk-devel
1.https://apps.sourceforge.net/mediawiki/cdk/index.php?title=Development_with_Git#For_CDK_Users
2.http://blog.rguha.net/?p=194


-- 
Post-doc @ Uppsala University
http://chem-bla-ics.blogspot.com/

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