On Wed, Oct 19, 2016 at 9:20 PM, Geoffrey Hutchison <geoff.hutchi...@gmail.com> wrote: > I know as part of the GSOC project there were some questions about a more > formal spec for CJSON. Considering that I'd like to start adding pieces into > Open Babel (and maybe RDKit?) it would be really helpful if there was a more > formal write-up. > We started the Chemical JSON GitHub repository, and there are a few people interested in developing a more formalized spec. I would say that this is a good place to organize a spec,
https://github.com/OpenChemistry/chemicaljson There is also https://github.com/OpenChemistry/avogadrodata/tree/master/data that has a number of examples, several of which are used in the unit tests. There is the original wiki page, http://wiki.openchemistry.org/Chemical_JSON and I think that should point to the repository once we have fleshed things out. If we need to add things then I would favor adding examples/specifications to the chemicaljson repository, or discussing them here. It has been pretty informal so far, I am still working on getting the unit cell stuff to read correctly before I will merge the GSoC code - hoping to take another look later today, and there was a fragment suggestion that looked good and I would like to add. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel
