Hi Bruce,
The purpose of Atoms is to convert crystallographic data into a list of atomic coordinates. Usually this list is in the form of a feff.inp file.
OK
Occassionally one might wish to output a file of a different format. In any case a feff.inp file is always the output and never the input.
OK
Atoms is built into Artemis and serves the EXACT SAME PURPOSE in that context. I have never written a piece of software that converts a feff.inp file into some other kind of list of atoms nor is it my intention that any of my documentation suggest otherwise. That said, I acknowledge that converting a feff.inp file to a pdb file, although less useful in general than the other way around, would indeed be a nice thing to have.
OK
Finally, you underscore another little problem. Atoms (both in the guise of TkAtoms and of Artemis) should fail more gracefully when you choose to import an atoms.inp file and instead select a feff.inp file. I am not sure of a 100% reliable way to handle that problem gracefully, but I will certainly think about it.
OK: Thanks a lot for being patient. 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