Monthly Archives: September 2010

Lensfield: In the Beginning was the FileSystem

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

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#quixotechem Another compchem program goes Open Source

  #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

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#quixotechem the different ways of looking at the world [repost]

  [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

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Components of the Quixote Open computational chemistry system and the WWMM

#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

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The Why, When, Where and How of publishing data

#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

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A quixotic approach to an Open knowledgebase for Computational Chemistry

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

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Where can scientists host their web pages? Please help

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

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Open Bibliographic Data at JISC and #jiscopenbib

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

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The OABCD of Open Scholarship: In pictures

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

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#OSS2010 Recording of my Open Science Summit Flowerpoint at Berkeley

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

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