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A molecular informatics weblog

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Entries from March 17th, 2008

ChEBI user meeting coming in May

March 17th, 2008 · 3 Comments · Open Science

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary and ontology of molecular entities focused on ‘small’ chemical compounds hosted and maintained by the European Bioinformatics Institute (EBI). The term ‘molecular entity’ refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a [...]

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PAC on Graphical Representation Standards for Chemical Structure Diagrams

March 17th, 2008 · No Comments · Blue Obelisk, Chemistry Development Kit, Chemoinformatics, IUPAC CPEP, Open Standards

The February issue (V80, No 2, P 277-410) of IUPAC’s Pure and Applied Chemistry Journal has a 133 pages of IUPAC recommendations for the Graphical Representation Standards for Chemical Structure Diagrams. In the Blue Obelisk context, this material is both valuable for the development of our structure representation and editing tools (JChemPaint, JCPViewer) as well [...]

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Restaurant "Schwarzwald Stube", Traube Tonbach, Baiersbronn, Germany

March 16th, 2008 · No Comments · Michelin Star Chef, Restaurants

Today was the absolute highlight in my culinary life. I had lunch at the fabulous restaurant “Schwarzwald Stube”, headed by Harald Wohlfahrt, one of Germany’s 3-Michelin-Star chefs. We went for the great 7 course menu which kept us entertained for about 4.5 hours. Following an amuse bouche, we started with tartar and mousse of mildly [...]

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Bioclipse pirated

March 14th, 2008 · 4 Comments · Bioclipse, Blue Obelisk, Open Science, Open Source, Scientific Culture

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 [...]

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