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One Billion Biochemical RDF Triples!
That must be a record! Eric Jain wrote on public-semweb-lifesci:
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My blog turned 2
A bit over two years I posted my first blog item, Chem-bla-ics, introducing the topic of my blog. In January this year I explained why I like blogging.
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Bob improved the POV-Ray export of Jmol
Bob has set up a new interface between the data model and the Jmol renderer, which allows him to define other types of export too. One of this is a POV-Ray export, which allows creating of high quality images for paper. Jmol has had POV-Ray export for a long time now, but never included the secondary structures or other more recent visual featues. PyMOL is well-known for its POV-Ray feature, and often used to create publication quality protein prints. The script command to create a POV-Ray input file takes the output image size as parameters:
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Open Data Misconception #1: you do not get cited for your contributions
The Open Data/ChemSpider debate is continuing, and Noel wondered in the ChemSpider Blog item on the Open Data spectra in ChemSpider. The spectra in ChemSpider come from four persons, two of which released their data as Open Data (Robert and Jean-Claude) and two as proprietary data.
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Lunch at Nature HQ (with Euan, Joanna, Ian and Ålf)
On my way back from the Taverna workshop I visited Nature HQ, as Ian reported about on Nascent. It was a (too) short meeting, but very nice to meet Euan (finally; he wrote the postgenomic.com software which I use for Chemical blogspace), Joanna (whom I met in Chicago already, where she had two presentations, and is responsible for Second Nature), Ian (who works on Connotea, and commented on my tagging molecule blog) and Ålf (who works on Scintilla) and briefly Timo (who rules them all). BTW, I had a simple but delicious pasta.
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ChemSpider: the SuSE GNU/Linux of chemical databases?
A molecular structure without any properties in meaningless. Structure generators can easily build up a database of molecules of unlimited size. 30 million in CAS, 20 million in ChemSpider or 15 million in PubChem is nothing yet. The value comes in when linking those structures with experimental properties.
