here a much better manual in french Cart

Basically, this program converts geometries from one program to another one (like Babel). But also, it can also calculate distances, angles, zmatrix, adds dummy atoms... (sorry it can't make coffee, maybe the next version).

What does-it do?

Read cartesian coordinates from g92, monstergauss (an old ab initio program), exthuc (extended Hückel), ampac, gamess, molpro.

Write cartesian coordinates for xmol, rasmol, molecule, chem3d, molplt.

Read a zmatrix.

Write zmatrix for g92, monstergauss, exthuc.

Calculate rotational constants.

list of commands.

How does-it work?

The program reads "namelist" (here, only 4 letters of a word -French-) which correspond to a command and then it does it.
So, when you add a dummy atom, you can use it for another command.

download a copy of cart cart.tar.gz
uncompress and compile it.

gunzip cart.tar.gz
tar xvf cart.tar
cd cart

There are more examples in cart/examples

a simple example: read (lecture) and write (ecriture) cartesian coordinates.

 $lect na=4 prog='molpro' $end
  1   O     8.00    1.374606665    1.374606665   -0.344635602
  2   O     8.00    1.374606665   -1.374606665    0.344635602
  4   O     8.00   -1.374606665   -1.374606665   -0.344635602
  3   O     8.00   -1.374606665    1.374606665    0.344635602
 $eras $end

With the first namelist ($lect), the program reads the number of atoms (na) and the format of the cartesian coordinates (prog='molpro').

With $eras, it's write the same geometry in xyz for rasmol.

The last one ($fini) is use to specify the end of the file.

you get:


 O         0.727410         0.727410        -0.182373
 O         0.727410        -0.727410         0.182373
 O        -0.727410        -0.727410        -0.182373
 O        -0.727410         0.727410         0.182373

List of namelists (or commands):

Background: Régis Loisel ici ou (in French)