chem-bla-ics
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  • Jan 23, 2009

    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
  • Jan 21, 2009

    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
  • Jan 19, 2009

    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
  • Jan 19, 2009

    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
  • Jan 16, 2009

    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
  • Jan 15, 2009

    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
  • Dec 30, 2008

    Editing and Validation of CML documents in Bioclipse

    One advantage of using XML is that one can rely on good support in libraries for functionality. When parsing XML, one does not have to take care of the syntax, and focus on the data and its semantics. This comes at the expense of verbosity, though, but having the ability to express semantics explicitly is a huge benefit for flexibility.

    4 minute read
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  • Egon Willighagen
  • 0000-0001-7542-0286

Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.