Hey great Job,just wondering whether or not retron/synthon identification was possible with jmol.How far does jmol go with respect to inorganic/organometallics,what elements can I model in jmol? Can anyone suggest a good particle in a box program besides hyperchem for my students?
I have started modifying jmol to do it for polyenes,got as far as the 1d box being half the number of double bonds,how would I go about integrating a box parallel to the polyene and associated energy levels? I am using the graphic that links atoms as the boundaries of the box,still working on integrating the calculator.
I'll create an account and post when I'm through.