New dictionary: multiblock CIF

James H jamesrhester at gmail.com
Thu Sep 28 06:25:52 BST 2023


Dear COMCIFS, core CIF DMG and cif-developers:

Apologies for cross-posting, but I think this is relevant to you all.

We have decided to create a new dictionary that contains the additional
definitions required when describing data that are distributed over more
than one data block. This allows core CIF to remain free of the many
"boilerplate" definitions that are required. A draft first release of this
multiblock dictionary is available at
https://github.com/COMCIFS/MultiBlock_Dictionary/blob/rc-1.0.0/multi_block_core.dic
for your review. This first release of the dictionary contains only
definitions that are already present in the latest release of the core
dictionary; once the present dictionary is approved they will be removed
from the core dictionary.

The technical details of describing multi-block data with CIF dictionaries
are available in section 3.1.4 of our IUCr2023 workshop handout at
https://www.iucr.org/__data/assets/pdf_file/0015/157011/handout.pdf, or a
brief summary is in the README of the above repository.

Please feel free to provide feedback either via reply to this message or
raising issues in the Github repository linked above. The review period is
one month.

best wishes,
James.
-- 
T +61 (02) 9717 9907
F +61 (02) 9717 3145
M +61 (04) 0249 4148
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