Hi all, I just released an update to the CDK 1.4 stable branch [0]. With the work in this 19th minor release, CDK 1.4 has become the most stable CDK version ever (with a big thanx to John for fixing some long standing regressions) [1].
My comments on this release: "This release is another bug fix release, including a set of fixes for long standing regressions, though in code that is not used by a lot of people. It also contains two convenience methods in the IsotopeFactory to get all isotopes, and all isotopes given a certain exact mass and maximal difference with that search mass. It also has an update for element names, now knowing about the Lv and Fl elements. Additionally to the regression fixes, this release also contains a number of fixes to newer bug reports. For example, it fixes the matching of any bonds in searching, if the target bond is null (yeah, one of those weird corner cases that should not really happen), a similar null problem when adding the hydrogens, the group of the Ds element, and how generated SMILES handles nitrogens in rings with respect to implicit hydrogens. Of course, there is also some general code and JavaDoc clean up. Still a lot to do their." I also wonder in my blog if we could make an overview (and keep it up to date) of all actively developed/maintained tools and which CDK version they use? Are people interested in such a list? Egon 0.http://chem-bla-ics.blogspot.nl/2013/08/cdk-1419-changes-authors-and-reviewers.html 1.http://chem-bla-ics.blogspot.nl/2013/08/wow-cdk-hits-record-low-number-of-unit.html -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Get your SQL database under version control now! Version control is standard for application code, but databases havent caught up. So what steps can you take to put your SQL databases under version control? Why should you start doing it? Read more to find out. http://pubads.g.doubleclick.net/gampad/clk?id=49501711&iu=/4140/ostg.clktrk _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
