Adding theoretical structure dictionaries to the COMCIFS stable

[James H]

Dear COMCIFS,

The CCDC has contacted me regarding the possibility of developing a
dictionary for describing theoretical structure calculations. The
process from here would involve forming a working group of
stakeholders, who would produce the final dictionary for approval by
COMCIFS. However, there is little point doing this work if COMCIFS do
not see structure prediction as a topic worthy of coverage. Therefore,
if anyone sees any problems with such a dictionary eventually becoming
part of our official lineup, could they please bring them up in reply
to this email.

Note that the final dictionary will be presented to COMCIFS for
approval once ready. We would be asking the working group to provide
both the final dictionary, and explanatory materials suitable for
inclusion in IT Volume G.

To get an idea of the sort of information that such a dictionary would
provide, https://www.ccdc.cam.ac.uk/community/ccdc-for-the-community/partnerships-and-initiatives/csp-blind-test/7th-blind-test-info/
includes a list of data names that the CCDC use for their structure
prediction blind tests.

Please provide feedback within the next two weeks.

best wishes,
James.
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