Noel O'Blog

I've already mentioned using Open Babel for depicting with SVG . That's a handy way to view a large set of molecules; you can zoom i...

I've just spent quite some time trying to get the mirror-image of a chiral ligand in a metal-ligand complex. It took me a good while to ...

The recent JCAMD issue celebrating 25 years of that journal is full of articles speculating on the future of the field over the coming 25 y...

As mentioned by John Overington , the Joint EMBL-EBI/Wellcome Trust Course: Resources for Computational Drug Discovery on 2-5 July (see lin...

I've written here before about how Kevin Lawson (of Syngenta) has developed a way to incorporate chemistry into Excel using only freely...

With any tool, users will often come up with ways of applying it that the developers of the tool did not originally anticipate. In the Open ...

In cheminformatics, there are two reasons why one might want to calculate the RMSD between two conformers. The first is to check whether two...