Hi, I'm looking for a linux program that will allow me to simulate the IR absorption/transmission spectrum for a given molecule. It should be fairly easy, but many I'll have to load a molecular mechanics library or something. I could also use one that is installed on windows, but i certainly would prefer to use it on my own computer and i would have to borrow someone's pc.
thanks in advance.
rajan
EDIT: one of the most important properties I would like this program to have is the ability to label peaks. animation would be nice, but not necessary.