Extracting RDF from Chem4Word documents

Joe has released the first Chem4Word demo file, and has written about how to extract the CML with Java and with C#.

less than 1 minute read

Installation HOWTO for CDK-Taverna 0.5.1.1 in Taverna 1.7.2

Thomas made a new release of CDK-Taverna for the Taverna 1.7.2 release, which is great news as the previous release was for Taverna 1.7.1.

2 minute read

Warren DeLano and the future of PyMOL

This blog is old and new news. The old news is that Warren passed away at the end of last year, after having successfully shown how OpenSource cheminformatics (and/or bioinformatics) software can be developed in a commercial setting (DeLano Scientific), and PyMol was a huge success. Warren had a SourceForge account (wdelano) for almost 10 years:

2 minute read

Very cold in Uppsala!

 

less than 1 minute read

BlueObelisk StackExchange: summary of the first month

The Blue Obelisk StackExchange (BO_x) has seen a relatively good start, but the number of questions is dropping. The average number of unique visits is about 23-30 now:

less than 1 minute read

December wrap up. X-mas holidays at last!

Wow, I just saw it has been 17 days since my last post already :( That’s a new record, I think! A lot has happened actually, but I have not had time to write up things. Actually, I have still have SWAT4LS coverage left to do :(

2 minute read

CDK 1.3.1: the changes

Two weeks ago, I released CDK 1.2.4. Anay reported fails with generating the JavaDoc from the packages, which I think I both fixed now; the uploaded 1.2.4.1 packages on SourceForge include these fixes.

9 minute read