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
_iucr_refine_instruction_details_restraints
Definition:
Example:
Category:
Any other attributes suggested by the submitter are listed here: