Dear Paul, thanks for your message.
As I happen to be in Italy (at Elettra) at the moment and am on the same time, I thought I would reply. Have you tried using the artemis module for reading in the feff.inp file.
yes. I am able to do it and able to run fits with Artemis no problem. I did not realize that Artemis could export feff.inp files to pdb. I tried to: after reading in a feff.inp file, I follow FEFF -> write special output -> pdb, but I get the error message "You did not specify any lattice constant" which of course it is not necessary neither for a feff.inp file nor for a pdb file. So I am stuck.
I have done this many times and successfully exported the pdb file. For viewing the pdb file I used to use vmd (from the University of Illinois -- a free program and capable of ray-tracing and atom selection by type, distance etc.), but now I am using crystalmaker which does more in the crystallography front.
I have VMD installed on my Mac, as well as DeepView, Rasmol, MolMol, iMol, PyMol, O, and Chimera... The problem is not visualizing a PDB file... but rather to export the feff.inp file into a pdb and see what I am actually using, coordinate-wise. Any chance to pass by Bologna for a quick run? I could try to arrange things. Ciao, Stefano -- ____________________________________________ Stefano Ciurli Professor of Chemistry Department of Agro-Environmental Science and Technology University of Bologna Viale Giuseppe Fanin, 40 I-40127 Bologna Italy Phone: +39-051-209-6204 Fax: +39-051-209-6203 "Fatti non foste a viver come bruti, ma per seguir virtute e canoscenza"iMol, Dante Alighieri - Inferno - Canto XXVI