> Personally, I'd like to see more interoperability between the > open-source chemistry apps, including avogadro, openbabel and cclib
Indeed, I think one big push is for Avogadro v2 to use cclib to read QM file formats (e.g., MO coefficients, basis set, etc.) rather than implementing them all in C++. As for Open Babel and cclib, I think some of that is simply a matter of not repeating the wheel - i.e., leaving QM-specific data in cclib, but certainly a lot more is important here. I think these are good ideas. I’ll go create a wiki page somewhere to start storing some of them. -Geoff P.S. I don’t think it would be hard for Avogadro as a whole to get approved, since we’ve had 3 students working on Avogadro-related code in previous years. I do agree that an umbrella organization might be helpful. ------------------------------------------------------------------------------ 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
