Nature Jobs - Google Map mashup

Nothing much I need to say about the NatureJobs Interactive World Map, I think. Thanx to Partial Immortalization for the link on FriendFeed!

less than 1 minute read

CDK - The Documentation

In preparation for the CDK workshop later this month, I am writing up my material for my kick-off presentation of the workshop. So, I better make it good. Using LaTeX at least overcomes my laziness which always made Word documents look stupid. Even default LaTeX looks good:

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StARlite talks in Uppsala; Helena's Open Chemogenomics thesis

John was in Uppsala last Friday, and our group had the pleasure of talking to/with him before he was opponent to Helena defending her thesis on Chemogenomics: Models of Protein-Ligand Interaction Space (ISBN:978-91-554-7430-0). Since we believe we can do tons of really interesting science on John’s StARlite data, I was excited to talk to him in person. He gave three talks that day, and managed to keep the overlap minimal (yes, not quite an absolute measure, but you get the point). We showed him the efforts of Arvid, Carl, Jonathan and me on converting the StARlite data to RDF, on which I will write shortly.

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Highlighting Console output in Eclipse with Grep Console

I ran into an Eclipse Grep Console plugin (EPL license) today that takes regular expression to color output in the Console. Given the amount of output Bioclipse and the CDK give when in DEBUG mode, this allows me to highlight those bits I am interested in. For example, comments on the Bioclipse managers:

less than 1 minute read

Journal of Cheminformatics: I hope the Instructions to the Authors improve

Besides Nature Chemistry, another journal was launched last week (see here and here): the Journal of Cheminformatics. First of all, congratulations to Chris and David for their efforts! While the journal only published one research paper yet, it already found its place on Chemical blogspace. I have two things I want to blog about: data rich publishing, and starting the scientific communication.

4 minute read

Preferential positions of phophate counter ions

A long time ago (‘96 or so?), as a student with the no longer existing CAOS/CAMM (Google shows some traces, like this chapter describing the centre), I did a short internship with Hilbert Bruijn-Slot (I hope I remember his name correctly), where has asked me to look at data in the CSD, and in particular the prefered position of phosphate counter ions. It was a fun research, and almost made it into a paper, if we were not just beating by a few months by a group of Russians who just published the same.

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Nature Chemistry improves publishing chemistry: a detailed analysis

Nature Chemistry just released the first issue with a few free papers, like Asymmetric total syntheses of (+)- and (-)-versicolamide B and biosynthetic implications by Miller et al. (DOI:10.1038/nchem.110).

4 minute read