Hi, 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.
www.jcheminf.com/content/5/1/25 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. Thanks, Marcus ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel