[Ifeffit] Fitting EXAFS simulation to experimental

Dear listhost, I'm using Artemis as a front end for ATOMS and FEFF and I would like to build a simulated EXAFS spectrum based on experimental data I have. I know how to generate a simulation based on a .cif or .xyz file, but is it possible to vary parameters in these input geometries to best match the experimental? Has someone implemented this in artemis or matlab? thanks, Carl -- PhD Candidate | Chemistry | MIT SB | 2010 | University of Chicago