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[Imgcif-l] Guidelines for mixing imgCIF tags with core CIF tags

  • To: The Crystallographic Binary File and its imgCIF application to image data<imgcif-l@iucr.org>
  • Subject: [Imgcif-l] Guidelines for mixing imgCIF tags with core CIF tags
  • From: James H via imgcif-l <imgcif-l@iucr.org>
  • Date: Tue, 1 Mar 2022 12:16:11 +1100
  • Cc: James H <jamesrhester@gmail.com>
Dear imgCIF list,

I have finally put together a draft set of guidelines for combining
imgCIF tags with core CIF items. Being rather unwieldy for this email,
please read them at
https://github.com/COMCIFS/comcifs.github.io/blob/master/draft/imgcif-with-core-
guidelines.md

Comments, corrections, improvements all welcome either by straight
pull request or email. I have also separately solicited comments from
others from the perspective of general DDLm practice.

These guidelines are the application of a more general approach to
splitting datasets over multiple data blocks.

I'll just reiterate that these guidelines (as far as I can tell) do
not imply any change whatsoever to imgCIF as used with PDB data.
They do imply the existence of a DDLm version of the imgCIF
dictionary, a round-trippable automatically-generated version of which
I produced a few years ago.

James.
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