Molecule to matrix

Hi, I need to convert a drawing of a molecule to a matrix, which will be used to make an Huckel-approximation calculation.

I have seen some programs drawing molecules and I was wondering if the drawing also could be used reversely.

Does anyone has suggestions for a function that concerns itself with this problem?

Answer 1

[bym]

I don't know if it applies in your case, but the only things I have seen are:

bucky  % and
gplot

Answer 2

[Walter Roberson]

Possibly the stats toolbox function cmdscale() would help you. See http://www.mathworks.com/matlabcentral/answers/23443-set-of-points-to-cartesian-system