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yytsnake

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Originally posted by yytsnake at 2010-09-05 20:05:54:
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fjytsk

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PART -1. As the second site of each disordered atom can be calculated directly from the positions of the atoms of the first component via the symmetry operator of the respective twofold axis, it is not necessary to have two parts in the .ins file. The negative part number suppresses the generation of special position constraints, and bonds to symmetry-related from the connectivity table.
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Originally posted by fjytsk at 2010-09-10 07:41:47:
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