I've been silent on the lists, since I'm hard at work getting tenure (the package gets submitted in early August).
But I had a brainstorm about some of the features we've discussed, like Packmol -- which is a Fortran code. While we can supply binaries and detect if the program is available at run-time, it might be nice to offer some of these programs as web applications as well. Right now, we offer integration with PubChem, the NIH resolver (also for compound naming) and a few other web services. But it'd be pretty easy to offer a web app that runs Packmol. A similar Fortran program which might be useful is symmol, which detects point group symmetry and can "symmetrize" molecules. To be clear, these programs are already available, and I'd suggest making the webapp interface layer available as open source (probably BSD-license). I'm just thinking that for many users and for development purposes, a webapp would be useful (i.e., no need to get a Fortran compiler for Windows or Mac). Thoughts? -Geoff ------------------------------------------------------------------------------ Try New Relic Now & We'll Send You this Cool Shirt New Relic is the only SaaS-based application performance monitoring service that delivers powerful full stack analytics. Optimize and monitor your browser, app, & servers with just a few lines of code. Try New Relic and get this awesome Nerd Life shirt! http://p.sf.net/sfu/newrelic_d2d_may _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel
