Sunday, August 25, 2013

The Blue Obelisk Data Repository's 10 release

The Blue Obelisk Data Repository (BODR) is not so high profile as other Blue Obelisk projects, but equally important. Well, maybe a tid bit more important: it's a collection of core chemical and physical data, supporting computation chemistry and cheminformatics resources. For example, it is used by at least the CDK, Kalzium, and Bioclipse, but possibly more. Also, it's packages for major Linux distributions, such as Debian (btw, congrats to their 20th birthday!) and Ubuntu.

It doesn't change so often, but just has seen its 10th release. Actually, it was the first release in more than three years. But, fortunately, core chemical facts do not change often, nor much. So, this release has a number of data fixes, a few recent experimental isotope measurements, and also includes the new official names of the livermorium and flerovium elements. There is a full overview of changes.

BODR 10 is brought to you by Jean Brefort, Daniel Leidert, and I did some small bits too. Also big thanks to all project that keep using BODR and contribute by providing high quality feedback reports!

Oh, and if you use BODR isotope or element data, you are kindly invited to cite the one of the Blue Obelisk papers.

O'Boyle, N. et al. Open data, open source and open standards in chemistry: The blue obelisk five years on. Journal of Cheminformatics 3, 37+ (2011). URL
Guha, R. et al. The blue obelisk - interoperability in chemical informatics. Journal of Chemical Information and Modeling 46, 991-998 (2006). URL