chem-bla-ics
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  • Nov 9, 2007

    Using the Nintendo Wii for serious science...

    On my desktop, the Scintilla and Postgenomic.com websites do not work. It is not a browser problem, but has something to do with TCP/IP packages not reaching its destination: the browser. Euan told me they are aware of the problem, but apparently have not found a solution yet.

    less than 1 minute read
  • Nov 8, 2007

    Cytoscape in Amsterdam

    Right at this moment I am listening to Andrew Hopkins from Dundee on chemical opportunities in system biology, at the Cytoscape conference in Amsterdam. Anyone who wants to meet up over lunch or coffee break?

    less than 1 minute read
  • Nov 7, 2007

    Comparing JUnit test results between CDK trunk/ and a branch

    I have started using branches for non-trivial patches, like removing the HückelAromaticityDetector, in favor of the new CDKHückelAromaticityDetector. I am doing this in my personal remove-non-cdkatomtype-code branch, where I can quietly work on the patch until I am happy about it. I make sure to keep it synchronized with trunk with regular svn merge commands.

    1 minute read
  • Nov 6, 2007

    Evidence of Aromaticity

    I have been working on a new atom type perception engine for the CDK, after having decided that the existing atom type lists where not sufficient for the algorithms we have in the CDK. The new list is growing in size, and basically contains four properties (besides element and formal charge):

    4 minute read
  • Nov 5, 2007

    Glueing BioMoby services together with JavaScript in Bioclipse

    Ola has been doing a good job of integrating BioMoby support into Bioclipse. Earlier he completed a GUI for running BioMOBY services, and added more recently a JavaScript wrapper too, using the Rhino plugin developed by Johannes.

    less than 1 minute read
  • Oct 29, 2007

    BioSpider: another molecule search engine

    I just ran into BioSpider. Unlike ChemSpider, BioSpider crawls the internet (well, this list of sources really) to find information, and depending on what it finds it continues the search. Below is a screenshot of an intermediate point after starting with the InChI of methane:

    less than 1 minute read
  • Oct 26, 2007

    My FOAF network #1: the FOAFExplorer

    In this series I will introduce the technologies behind my FOAF network. FOAF means Friend-of-a-Friend and

    1 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.