[Jmol-users] Looking for a simple molecule viewer

[Leander S. <lea...@cs...>]

Hi all,

I have some descriptions of molecules in a graph-like form, e.g.:
1(H), 2(O), 3(H)
1 2 1, 2 3 1
which means this is a molecule with three atoms and two bonds between 
them (the first two numbers of a bond giving the atoms involved, the 
third stating that it is a single bond).

Now I'm looking for a simple program that can load in such 
representations and show a 2D-representation of the molecule (and if 
possible highlight some particular atoms and bonds).

I investigated the possibility of using Jmol, but as I understand it 
needs actual 3D-coordinates, which I don't have. Does anyone of you have 
any pointers to a program that can handle these kind of representations?

Many thanks,

Leander Schietgat
Dept. of Computer Science
University of Leuven