MetWare presentation at Metabolomics Workshop

I gave this 10 minute presentation on MetWare this afternoon at the International Metabolomics Workshop : less than 1 minute read

Statistics on the Development Community

Git is nice. Nicer to some than to other, that is true. GitReady just learned me how to calculate commit message in a few seconds: git shortlog -s -n. For the whole Bioclipse and CDK commit history. Seconds. Here they are. 1 minute read

Details behind the "Calling XMPP cloud services from Taverna2"

On Monday I showed two screenshot showing our new XMPP-based web/cloud services in action inside Taverna. 3 minute read

Calling XMPP cloud services from Taverna2

SMILES (CCC) in, mass out. Yes, we can now call XMPP/IO-DATA cloud services with Taverna2 :) less than 1 minute read

RSC now allows Jmol in main text of publication... well, almost

Richard Kidd wrote in the ChemistryWorldBlog about Henry Rzepa to have published two papers in RSC journals where Jmol is part of the main paper, after having used Jmol in extra material in ACS journals before. The key here is that the Jmol is part of the official text… when you open the paper in a browser, you immediately get to see the Jmol live, 3D graphics! Well, so it is said in the blog. less than 1 minute read

Bioclipse and Gist integration

As you might have read, Bioclipse has scripting support (see for example, Scripting JChemPaint ), and that we have been collection them on Gist and indexing them on Delicious with the tags bioclipse and gist. This provides a nice overview of what you can do with the current SVN version of Bioclipse2. And, hopefully, when released, allow users to quickly learn about Bioclipse features, allow people to share scripts etc. Think of it as MyExperiment.org for Bioclipse. 1 minute read

Editing and Validation of PubChem XML documents

With the general framework set up for editing and validation of CML documents , it was fairly easy to support the PubChem XML file format schema too. less than 1 minute read