Author Archives: pm286

Open Access and Tropical Diseases

Posted on November 1, 2007 by pm286

This should be of interest to those interested in cyberscience and collaborative projects: WHO launches OA portal on tropical diseases Peter Suber, Open Access News “TropIKA is a new OA portal for research and information on tropical diseases.  (Thanks to … Continue reading →

Posted in open issues | Leave a comment

Motivation for Wikipedian contributors

Posted on November 1, 2007 by pm286

Why do we contribute to Wikipedia? Here’s a report of a survey. I add my additional motivations below: var imagebase=’file://C:/Program Files/FeedReader30/’; Tim O’Reilly (et al.): “What Motivates Wikipedians”: review of a survey 20:19 30/10/2007, Andy Oram, By Andy Oram A … Continue reading →

Posted in open issues | Leave a comment

Joe Townsend's PhD and data-driven science

Posted on November 1, 2007 by pm286

Joe was examined yesterday by Martin Dove (Cambridge) and Henry Rzepa – of course nothing is official but he was given the indication “minor corrections”. So I will congratulate Joe on having to make corrections. I won’t put words into … Continue reading →

Posted in crystaleye, data, nmr | Leave a comment

Dissemination of CrystalEye

Posted on October 31, 2007 by pm286

There has been considerable interest in having access to the bulk knowledgebase of CrystalEye – WWMM which contains primary data for over 100,000 crystal structures  and probably over 1 million copies of fragments derived from those. We are obviously excited … Continue reading →

Posted in crystaleye, data | 2 Comments

We agree the structure is wrong!

Posted on October 30, 2007 by pm286

Nick Day’s procedure has generated the agreement – and disagreement – between observed and calculated NMR shifts. In my post Open Notebook NMR – the good and the ugly I highlighted one of the worst disagreements. I hesitated to say … Continue reading →

Posted in nmr, open issues | 3 Comments

ATOMic crystals

Posted on October 30, 2007 by pm286

How do we disseminate our CrystalEye data? If we use one large file, even zipped, it will run into gigabytes. Also it can’t easily be updated.  Jim Downing has started to set up AtomPP feeds for disseminating  it. Geoff Hutchison … Continue reading →

Posted in crystaleye, data, semanticWeb | 7 Comments

Open NMR publication: possible ways forward

Posted on October 28, 2007 by pm286

Wolfgang Robien has posted some valuable comments and I think this gives us a positive way forward. I won’t comment line by line but refer you to the links. For background Wolfgang suggest that I have a religious take on … Continue reading →

Posted in data, nmr, open issues | 3 Comments

WWMM: The World Wide Molecular Matrix

Posted on October 27, 2007 by pm286

Since I have been asked to talk about the WWMM here’s a bit of background… When the UK e-Science project started (2001) we put in a proposal for a new vision of shared chemistry – the World Wide Molecular Matrix. … Continue reading →

Posted in "virtual communities", cyberscience, data | Leave a comment

COST D37 Meeting in Rome

Posted on October 27, 2007 by pm286

Tomorrow Andrew Walkingshaw and I will be off to Rome for the COST D37 Working Group. From the site: What is COST? COST is one of the longest-running instruments supporting co-operation among scientists and researchers across Europe. COST now has … Continue reading →

Posted in chemistry, data, XML | 2 Comments

Anyone for crystal mashups?

Posted on October 27, 2007 by pm286

From the blogosphere through Bora: Liz Allen posted this on the Wall of the PLoS Facebook group yesterday: Here’s a fun Friday activity for all of you who like to track the stats of the inevitable rise and world domination … Continue reading →

Posted in "virtual communities", open issues, semanticWeb | 7 Comments