> /usr/local/bin/obabel '/Users/Chris/Desktop/confs/temp1.sdf' -omop -xf > '/Users/Chris/Desktop/confs/temp1.mop’
The key problem is the use of the -xf flag. This is a way to set keywords in the MOPAC file by reading another file. (Useful for batch processing): obabel *.sdf -omop -xf “keywords” -m # convert multiple files Hope that helps, -Geoff ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
