Dear colleagues,

after some unfortunate period of silence, I have finally put together two CIF dictionaries for the TCOD, using the input provided by Linas and Torbjorn. They can now be parsed by CIF parsers. You can find the current versions here:

http://www.crystallography.net/tcod/cif/dictionaries/

files: http://www.crystallography.net/tcod/cif/dictionaries/cif_dft.dic http://www.crystallography.net/tcod/cif/dictionaries/cif_tcod.dic

The cif_tcod.dic is intended as a general house-keeping dictionary and method identification meta-data, and cif_dft.dic is the first method-specific dictionary (and there might be more if needed, for different methods).

All TCOD entries validate against these dictionaries, but for a trivial reason: the data items described there are not yet used in real data files. The dictionaries however open us possibility to start thinking about these data items, putting together their descriptions and setting up requirements that structures which we want to see in TCOD should fulfill :)

Regards, Saulius

PS. I am thinking that it would be good to announce TCOD in the upcoming IUCr meeting. I will send you an abstract project in a short while.

S.G.