[Ifeffit] A few questions...
p.southon at usyd.edu.au
Fri Jan 23 00:32:50 CST 2004
Just a couple of questions for Bruce.
Artemis: I've tried using the "Sum of paths" feature, which I assume is the
equivalent of ifeffit's ff2chi command. For some reason it doesn't work if
no data file has been opened, even though the operation does not refer to
any data. Its easy to work around, but perhaps something to be fixed?
Atoms: Has there been any thought of allowing Atoms to open up standard
crystallographic data files, even CIF files? (I know CIF can be quite
complicated) Some crystallographer colleagues are hand-typing quite a few
structures from cif files into Atoms, and I suspect many others might do
Alternately, is there a friendly programmer out there who can write a
script to extract the relevant details out of cif and write an atoms input
And while I'm about it ... it occurred to me that these questions above
could well have been asked before, but as a newcomer to this list it is
quite difficult to trawl through the archives to find relevant answers. Is
there any possibility and/or interest in some kind of index of these
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