Author Archives: pm286

SPECTRa @ UIUC

Posted on December 13, 2007 by pm286

Last spring I visited Illinois (UIUC) and presented the SPECTRa tools. Scott Wilson who runs the crystallographic facility and many of the LIS community were keen to see how it could be used for capturing their crystallography. Yesterday I met … Continue reading →

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Microsoft eChemistry Project and molecular repositories

Posted on December 13, 2007 by pm286

Some of you may have picked up from – e.g. the Open Grid Forum – that Microsoft (Tony Hey, Lee Dirks, Savas Parastatidis) have been collaborating with Carl Lagoze (Cornell) and Herbert van de Sompel (LANL) on bringing together Chemistry … Continue reading →

Posted in crystaleye, open issues | 5 Comments

Digital Curation Conference Day 1

Posted on December 13, 2007 by pm286

I can’t actually connect to the Internet during the sessions so have made some notes and edited them later. I suspect this is rather patchy. Overall impressions – optimistic spirit with some speakers being very adventurous about what we can … Continue reading →

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Digital Curation Conference (DCC) Washington

Posted on December 11, 2007 by pm286

I’m in Washington for a JISC NSF meeting on Friday. Originally I thought I would have to have missed the Digital Curation Conference but due to a change of plans am now able to attend (Wed and Thursday). Since I … Continue reading →

Posted in idcc3 | Tagged | 1 Comment

Scope for SCOAP

Posted on December 10, 2007 by pm286

From Peter Suber: SCOAP3 FAQ for US libraries : CERN‘s SCOAP3 project has created an FAQ for U.S. Libraries. Excerpt:   What is SCOAP3 and what does it have to do with me? SCOAP3 is the Sponsoring Consortium for Open … Continue reading →

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What is data deposition?

Posted on December 9, 2007 by pm286

 Chemspider raises an important and valuable issue. How is data reposited? ChemSpiderMan Says: Peter, as you saw from my other posts at http://wwmm.ch.cam.ac.uk/blogs/murrayrust/?p=854 I have followed the SPECTRa project with interest and read the “final report” recently.BAsed on your comment … Continue reading →

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Capturing SPECTRa

Posted on December 9, 2007 by pm286

Jean-Claude Bradley has blogged  JSpecView Article on Chemistry Central Robert Lancashire has just published an article in Chemistry Central Journal: The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files Our lab has … Continue reading →

Posted in Uncategorized | 5 Comments

Ontologies in Physics and Chemistry

Posted on December 9, 2007 by pm286

My colleague Nico Adams has just posted on ontologies (Ontologies are overrated?!?) Here’s a video by the indefatigable Michael Wesch and done in his inimitable style, arguing that maybe ontologies are not needed anymore and that the shelf is obsolete … Continue reading →

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Christoph Steinbeck moves to European Bioinformatics Institute (EBI)

Posted on December 9, 2007 by pm286

I’d known about this for a few days and am delighted it’s now public: I’m very delighted to announce my move to the European Bioinformatics Institute (EBI) in Hinxton near Cambridge, UK, at the beginning of 2008. At EBI, I … Continue reading →

Posted in Uncategorized | 3 Comments

Open NMR – again. Why we do it

Posted on December 7, 2007 by pm286

 Chemspider (who has been doing some useful things recently with making data available and on which I shall comment separately) criticizes our work on NMR prediction by GIAO methods, and says he doesn’t “get it”. So I will continue to … Continue reading →

Posted in open issues, open notebook science | 6 Comments