Thanks everybody for the replies. I'm looking at the code right now, and I'm evaluating how long it will take to generate an equivalent Python version (I forgot to mention that in my initial request, but I doubt it would make any difference).
Cheers! Stefano On 12/08/2014 08:18 PM, Geoffrey Hutchison wrote: >> This tool used to be somewhere in the contrib section of openbabel, the >> source code is very compact and should be easy to >> understand/use/modify. > > Indeed, it's here: > https://github.com/openbabel/contributed/tree/master/c%2B%2B/mcs-cliquer > > Cheers, > -Geoff > -- Stefano Forli, PhD Staff Scientist Molecular Graphics Laboratory Dept. of Integrative Structural and Computational Biology, MB-112F The Scripps Research Institute 10550 North Torrey Pines Road La Jolla, CA 92037-1000, USA. tel: +1 (858)784-2055 fax: +1 (858)784-2860 email: fo...@scripps.edu http://www.scripps.edu/~forli/ ------------------------------------------------------------------------------ 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 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
