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.

1 minute read

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

NMRShiftDB enters rdf.openmolecules.net

This morning I finished setting up a RDF interface to the NMRShiftDB data (see nmr:234):

less than 1 minute read

Autogenerating CML bindings for XMPP services with XMLBeans

I blogged earlier about our efforts to create a better SOAP service architecture, based on XMPP:

3 minute read

Bioclipse: a powerful Jmol application

While Bioclipse is much more, it could be an interesting alternative to the Jmol application. It offers:

less than 1 minute read

Open NMR data: raw curves and annotated peak lists

Games are known to trigger technical innovation. But recently it also triggered innovation on open chemical databases. Jean-Claude reported:

1 minute read

Open Data versus Capatalism?

Ian Davis was recently quoted saying open data is more important than open source, which was pulled (out of context) from this presentation. The context was (a slide earlier): Data outlasts code.

2 minute read