> Not sure if this helps at all. The whole issue is kind of confusing as > again, the exact same code works when called from a simpler snippet that > does not write results to a file and does not allow any options to be set.
When you say "does not allow any options to be set," do you mean the OBConformerScore isn't set? Also, as a temporary work-around, have you looked at the Monte-Carlo conformer searching (i.e., weighted rotor search)? Thanks, -Geoff ------------------------------------------------------------------------------ Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
