[TCOD] First version of TCOD dictionaries
Saulius Gražulis
grazulis at ibt.lt
Mon Feb 10 12:02:18 UTC 2014
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.
--
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Graiciuno 8
LT-02241 Vilnius, Lietuva (Lithuania)
fax: (+370-5)-2602116 / phone (office): (+370-5)-2602556
mobile: (+370-684)-49802, (+370-614)-36366
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