[Tutor] Choosing between dictionary or external file

[Henrique C. S. Junior]

Dear colleagues, how are you?
I'm a scientist that is just starting with Python. I've decided to write a
small software to generate inputs used in a Quantum Chemistry package.
basically, we have to choose from several lists of options. Right now, I'm
using dictionaries to store information. Here is an example:

........................
basis_sets = {
    "Pople-style basis sets": {
        "3-21G": "Pople 3-21G (H-Cs)",
        "STO-3G": "Minimal basis set(H-I)",
        "3-21GSP": "Buenker 3-21GSP (H-Ar)",
        "4-22GSP": "Buenker 4-22GSP (H-Ar)",
        "6-31G": "Pople 6-31G and its modifications (H-Zn)",
        "m6-31G": "Modified 6-31G for 3d transition metals (Sc-Cu)",
        "6-311G": "Pople 6-311G and its modifications (H-Br)"},

    "The def2 basis sets of the Karlsruhe group": {
        "def2-SVP": "Valence double-zeta basis set with 'new' polarization
functions",
        "def2-SV(P)": "The above with slightly reduced polarization",
        "def2-TZVP": "Valence triple-zeta basis set with 'new' polarization
"
                     "functions. Note that this is quite similar to the
older ('def') TZVPP "
                     "for the main group elements and TZVP for hydrogen.",
        "def2-TZVP(-f)": "TZVP with f polarization removed from main group
elements",
        "def2-TZVPP": "TZVPP basis set with 'new' polarization functions",
        "def2-QZVPP": "Accurate polarized quadruple-zeta basis"},
........................

My question is: is this the correct approach? The dictionaries, after
finished, probably will not have to be changed for a long time and my idea
is to import them in the main code.
A second question is regarding the creation os a GUI, what are your
recommendations (keeping in mind that I'm not an experienced programmer)
Glade, PyQt + QT Designer, Tkinter or something else (to run on Linux, Mac
and Windows)?
.
Thank you for any suggestions

-- 
*Henrique C. S. Junior*
Industrial Chemist - UFRRJ
M. Sc. Inorganic Chemistry - UFRRJ
Data Processing Center - PMP
Visite o Mundo Químico <http://mundoquimico.com.br>