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first post - question about file format

  • Subject: first post - question about file format
  • From: Robert Hanson <hansonr@xxxxxxxxxx>
  • Date: Thu, 1 Dec 2016 17:32:45 -0600
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When upgrading Jmol to handle the new magCIF format, I spotted something I was not expecting - a syntax that broke Jmol's CIF reader:

  k1 [-0.75 0.75 -0.75]

To all accounts, this looks to me like CIF 2.0 format.

I'm pretty sure I saw in the CIF 1.0 specs that "[" at the beginning of an unquoted string is reserved -- I suppose just for this -- but I can't seem to find where this would be in the specs.

Can someone explain?

Bob Hanson

Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN

If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900

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