Monthly Archives: October 2010

#jiscxyz I am delighted to have been invited to a very important meeting in January that Phil Bourne and Anita deWaard are organizing. https://sites.google.com/site/beyondthepdf/ . Why do we want to go Beyond the PDF. Isn’t the PDF the epitome of … Continue reading →

#jiscxyz In the Quixote project (http://quixote.wikispot.org/Front_Page) we are systematically developing Java (and other) OpenSource tools for managing the input, output, transformation, storage, searching and publication of computational chemistry. We intend to parse complete logfiles (not just the juicy bits) and … Continue reading →

  Here is some code. Why won’t it compile?     private void transformAtomArraysIntoFrequencies() {         Nodes atomArrayNodes = xmlInput.query(                 “./*[local-name()=’atomArray’ and @dictRef=’gamessuk:normal_coordinates’]”); }     UPDATE Gillean (see comments) has cracked it. I cut-and pasted it out of Eclipse, into Word (where … Continue reading →

#jiscxyz Amusement (hopefully). You don’t have to understand theoretical chemistry to take part. The following ASCII text represents the output of a theoretical chemistry program. It contains an error. This error was not created by the program (and I have … Continue reading →

I’ve just described Chemical MIME – not in great detail, more to illustrate a highly virulent meme. Chemical MIME is what Fowler would call a “sturdy indefensible”. It breaks the rules, but it is used, it works and it upsets … Continue reading →

#quixotechem #jiscyxz I am still intrigued (?amazed) by the unpredictability of new ideas and technology on the Internet. All I do is fire off memes and see what happens. I’m reasonably experienced in creating memes. And even more experienced at … Continue reading →

#quixote #jiscxyz Many of the ideas that we’ve had on the World Wide Molecular Matrix are now starting to become possible. In my innocence in 2002 I thought that imaginings were one step from reality. The bits in between were … Continue reading →

I’m coming back from JISC and again sitting on the floor among the Bromptons. Alice and Bob are in their regular seats. They must get out earlier than me or rush along platform Zero faster than the average punter. (The … Continue reading →

I asked a question about stereochemistry http://wwmm.ch.cam.ac.uk/blogs/murrayrust/?p=2643 and owe the community an answer. The answer is my answer. It may or may not be “right”. I don’t like the word “right” in science. But I hope it’s acceptable to those … Continue reading →

#quixotechem #blueobelisk It’s a few days since we announced that we had prototyped a distributed knowledgebase for computational chemistry – Quixote. We’ve already had useful and positive feedback. Here’s Anna: Anna says: October 25, 2010 at 8:12 am  (Edit) Finally! I’ve … Continue reading →