Hello Bruce, I tried to read in a feff.inp file with TkAtoms in order to eventually export it as a pdb file and read it using any molecular viewer. The file is attached and feff6 works well with it. However, when I try to read it in using TkAtoms, I get the following error message: "K": Atoms detected tainted data among the atoms coordinates. The tainted parameter was set to zero then, when I skeptically hit the OK button, I get the subsequent message: Error: unnmatched ) in regex; marked by <-- HERE in m/\bev)<-- HERE \b/ at /Library/Perl/5.8.1/darwin-thread-multi-2level /Xray/Atoms. pm line 462, <$fh> line 2 Any clues to solve this? I suppose it is a matter of feff.inp file format? I am using a free format, and it works for feff6... I am using a G4 Powerbook with OSX 10.3.3 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" Dante Alighieri - Inferno - Canto XXVI