1******************************************************************************** 2* EXAMPLE SCRIPT FOR jmol * 3******************************************************************************** 4 5It can be used to plot potentials or charge_densities as .cube files 6 7First convert the output file 'potential.dat' or 'charge_density.dat' into 8a cube file using the program makecube (source makecube.f90) 9 10Then you need specific jmol commands 11 12Example: 13 14script colormap128.jmol 15load "structure.xyz" 16isosurface pl1 fullplane plane {-1.2 0.8 0 0} color range all colorscheme 'user' 'potential.cube' 17 18Edit with appropriate changes. 19NOTE: jmol cannot read .gen files. The structure should be converted to xyz 20 21Refer to the jmol documentation 22 23