The Guardian has a nice piece by Ben Goldarcre reporting about a study published by the British Medial Journal entitled “Relation of study quality puttygen download , concordance, take home message, funding, and impact in studies of influenza vaccines: systematic review”. Both the newpaper article and the study are worth reading and seem to be […]
Duan Lian, a colleague from the Laboratory of Molecular Modelling and Design in Shanghai, is keen on getting more cheminformatics functionality implemented in Javascript and I’m perfectly in line with his goals. He has posted some results at http://chemhack.com/mx-gwt/demo-molecule-structure-rendering, with more certainly to come.
In order to prevent major turbulences in the main source code development line of the Chemistry Development Kit (CDK), we decided a while ago to have separate branches in our subversion source code management system for each developer and each of his subprojects. Once a project has been finalized by a developer in her branch, […]
I’m a big fan of Google TechTalks and watch a lot of them during flights. This week I enjoyed the recording of Linus Torvalds insulting all kinds of people including the whole SVN develoment team while introducing his distributed source code management system GIT. Egon had pointed me to GIT quite a while ago but […]
I do not normally recommend books that I read to a wider public. Partly because I’m disappointed if someone dislikes a book that I loved, partly because I do not think that my taste is of interest to anyone, partly because 90% of my reading was written by Terry Pratchett. In addition, when it comes […]
The Chemistry-Information-Computer (CIC) division of the German Chemical Society announces the 4th German Conference on Chemoinformatics (22. CIC-Workshop) to be held in Goslar, Germany, November 09-11, 2008.
Back after an afternoon of heavy hiking to Castle Boymont uphill from Schloss Korb. Great stuff. Day 3, Morning Session on Macromolecular Interactions: P-P, P-NA, NA-Light Sara Linse of Lund report on her group’s work on Protein Interactions, Association and Fibrillation. Systems Chemistry is the study of molecules acting collectively, she proposes. Her focus of […]
The Wednesday morning session is about to start. Paul Labute chairs it. Tom Blundell of Cambridge starts with “Exploring Biological and Chemical Space with High-Throughput Crystallographic, Biophysical and Computational Methods: The new Dimensions of Drug Discovery”. Tom starts with a view on a cell, stating its complicatedness or complexity. He points out the large number […]
I was invited to give my views on some new chemistry in European Bioinformatics at a Meeting held by the CICAG group of the Royal Society, held at Burlington House, London. Peter Murray-Rust set the scene by emphasising the importance for Open Data. He showed some fantastic work on data extraction by OSCAR from theses, […]
A company called InfoCom, located in Arizona, advertises a product called iBioTech , which by all evidence is identical with Bioclipse. They say their iBioTech product has a plugin for chemoinformatics call “bc_cdk” (surprise :-)) and one called “bc_jmol” for 3D visualization. While this is something that we have explicitly not tried to prevent; still […]