CML, NWChem, FoX, Avogadro paper


I wanted to point out our paper (part of the same special issue as the
Avogadro paper) was released recently. It discusses the use of CML
produced by NWChem using FoX and visualized in Avogadro.

We should hopefully see releases of NWChem soon that can output this
CML, and I will clean up the code and get it merged in soon too. This
has been part of an ongoing collaboration looking at how we can
improve the quality of the data coming out of computational codes, and
it is intended to be complimentary to log file parsing/other file
parsing we have been working on for years.

In other news, I just noticed that the Avogadro paper has hit 50
citations on Google Scholar already. Great to see so many from the
community citing it and using Avogadro.