Hello everybody, First of all many thanks for the great tools and possibility to discuss it here.
I am quite new to Obabel, and I am trying to filter out diamines and polyamines from group of amines in .smi format. As final result I would like to have a group of mono-amines.., The SMARTS examples I found on Daylight website (section “Multiple Disconnected Groups” did not work quite well… Many thanks in advance, With best regards, Luibomir -- View this message in context: http://forums.openbabel.org/Filtering-by-functional-groups-question-tp4657266.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Flow-based real-time traffic analytics software. Cisco certified tool. Monitor traffic, SLAs, QoS, Medianet, WAAS etc. with NetFlow Analyzer Customize your own dashboards, set traffic alerts and generate reports. Network behavioral analysis & security monitoring. All-in-one tool. http://pubads.g.doubleclick.net/gampad/clk?id=126839071&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
