# Author: Zygmunt Flisak # Added to Database: 31/01/05 sed 's/MG/Mg/; s/K/Cl/; s/V/Ti/' $1 |\ /bin/awk 'NR > 3 {print $1, $8, $9, $10, $2, $4, $6}' # Translates MOPAC internal coordinates produced by xmol # into the form suitable for 'zrewrite' and 'zcoord'