spar2cart.pl

Convert Spartan file into XYZ coordinates.

Make sure you've saved your Spartan file in the .spinput format (use "Save as" and change the file type appropriately). If your Spartan file is called spartanfile.spinput, and you want to call your XYZ file myfile.xyz, type:

spar2cart.pl  spartanfile.spinput > myfile.xyz


This file takes the XYZ cartesian coordinates and the atom labels from the Spartan file and writes it to an XYZ file. More information about using this with Jaguar can be found here.