> It looks Avogadro2 will be using Chemical JSON whenever possible to transfer > data. Do you think this would be possible with cclib? > http://wiki.openchemistry.org/Chemical_JSON
Right now, there aren't really specifications for computational data (MO, basis, etc.) in Chemical JSON. So CML would probably be fine, or some push to standardize these data representations in Chemical JSON. (I'd be happy to help with either of these.) -Geoff ------------------------------------------------------------------------------ Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server from Actuate! Instantly Supercharge Your Business Reports and Dashboards with Interactivity, Sharing, Native Excel Exports, App Integration & more Get technology previously reserved for billion-dollar corporations, FREE http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-devel mailing list Avogadro-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-devel
