CDK 1.3.2: the changes

I promise I will write up more useful changelogs, and will actually try to do so in the excellent way Bob Hanson has been doing for Jmol: by example. For now, the following will have to do. These are the changes after release 1.3.1, which include all the changes in release 1.2.5:

6 minute read

Google Translation in Gmail in action

 

less than 1 minute read

Journal of Chemical Information and Modeling 50th Anniversary

Received a mail from Wendy Warr that the Journal of Chemical Information and Modeling now is 50th Anniversary old, and that they put up a special webpage:

less than 1 minute read

Validating MDL SD files and Symyx molfiles with the CDK

Bioclipse 2.0 introduced a new, powerful molecular table support, and we have been eager to test that on large SD files. A recent ChEBI SD file failed to open, and eyes were immediately at the CDK, which is the cheminformatics library used in Bioclipse.

3 minute read

CDK 1.2.5: the changes

Mostly license statement fixes (thanx to Andrew for caring about it!), and a bug fix in the UniversalIsomorphismTester:

1 minute read

Semantic Web features in Bioclipse 2.2

Ola is releasing Bioclipse 2.2.0 today, and asked me to show case the semantic web functionality in Bioclipse. I realized that I do not have a nice page showing the semantic web overview. But I did blog a lot about RDF functionality, so here’s a list of pointers:

1 minute read

Semantic Chemistry with the Resource Description Framework

First Call for Papers
Semantic Chemistry with the Resource Description Framework
240th ACS National Meeting & Exposition
Boston, Massachusetts, August 22-26, 2010
CINF Division

1 minute read