Crystallographic Information Framework

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Suggestion for new CIF data item

Status: Under review

Short term addition to the existing IUCr dataname recording restraints in the format used by the refienemtn program.

In our case, it will eventually be replaced (where possible) by terms from the restraint dictionary.

simlple example

DIST 1.55, .01 = C(9) TO C(10) 

DIST 0.00, .01 = MEAN C(1) TO H(11), C(1) TO H(12), C(1) TO H(12)

Contributed by David Watkin on 13 Apr 2012








Any other attributes suggested by the submitter are listed here: