> I am wondering if you know a way to convert over 1000 outputs from mopac to > another format like sdf or mol ? each output is a molecule
You don't mention what OS you use, but let's assume Linux or Mac - with a command-line: obabel *.out -osdf -m # convert all *.out files (MOPAC or otherwise) to SDF files -m indicates multiple Hope that helps, -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
