Monthly Archives: September 2010

This post introduces the command line and the file system which are the bedrock of the Lensfield system we have built to support scientific computing . Neal Stephenson has a marvellous essay/book http://en.wikipedia.org/wiki/In_the_Beginning…_Was_the_Command_Line . It’s primarily a discussion on proprietary … Continue reading →

  #quixotechem   I’m delighted to see that a major computational chemistry program (NWChem) has been released under a fully F/OSS Open Source software licence. There are many programs (“codes”) in compchem but few of them are F/OSS. The norm … Continue reading →

  [I have moved machines and as a result overwrote an earlier post. Here it is again] The meaning and use of words and ideas is critical to the development of the semantic web. Frequently I find the writings of … Continue reading →

#quixotechem #wwmm #jiscxyz Last week we agreed that a small, very agile, group of co-believers would put together a system for collecting, converting, validating, and publishing Open Data for computational chemistry, decribed by the codeword “Quixote”. This is not a … Continue reading →

#quixotechem #jiscyxz One of the major questions that arose at the ZCAM meeting on Computational Chemistry and databases (http://wwmm.ch.cam.ac.uk/blogs/murrayrust/?p=2619) was the publication of data. In some subjects such as crystallography (and increasingly synthetic chemistry), the publication of a manuscript requires … Continue reading →

I’ve just got back from a wonderful meeting in Zaragoza on “Databases for Quantum Chemistry” (http://neptuno.unizar.es/events/qcdatabases2010/program.html ). [Don’t switch off, most of the points here are generally to scientific repositories and Open Knowledge] Quantum Chemistry addresses how we can model … Continue reading →

I’m currently at a meeting on Computational Chemistry where we are looking at how to store, search and disseminate our results. http://neptuno.unizar.es/events/qcdatabases2010/program.html The problem is a very general one: A community creates results and wants to make the raw results … Continue reading →

I attended the Open Bibliographic Data meeting in London and came away very excited. Here are a few thoughts. Although bibliography is often regarded as a dry subject it’s actually incredibly relevant. We were asked for a compelling use-case for … Continue reading →

Is composed of the ABCD OPEN ACCESS Ben O’Steen has created B and C buttons in different sizes at https://bitbucket.org/beno/okfn_buttons/src Please use these. They are environment-friendly We expect to see these starting to appear on journal web pages and theses … Continue reading →

Bryan Bishop has just released the videos from the Berkeley Open Science Summit which should go down as one of the seminal Open events of 2010. http://fora.tv/partner/Open_Science_Summit I am extremely grateful for being recorded http://fora.tv/2010/07/29/Peter_Murray-Rust_Open_Knowledge_Foundation There are a few places … Continue reading →