Dear list, I have a bunch of .mol2 files.
I would like to count the number of atoms in each file as: total number of atoms, number of polar atoms, number of non polar atoms. Is there a way to do this rather easily with Open Babel? Thanks a lot, Francois. PS: I am not a chemist ------------------------------------------------------------------------------ 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
