On Jul 24, 2013, at 5:25 AM, scott_m <js...@cam.ac.uk> wrote: > B(CP(C(C)(C)C)C(C)(C)C)(CP(C(C)(C)C)C(C)(C)C)C1=CC=CC=C1
MMFF94 does not have parameters for boron. Use UFF. -Geoff ------------------------------------------------------------------------------ See everything from the browser to the database with AppDynamics Get end-to-end visibility with application monitoring from AppDynamics Isolate bottlenecks and diagnose root cause in seconds. Start your free trial of AppDynamics Pro today! http://pubads.g.doubleclick.net/gampad/clk?id=48808831&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
