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geometry_reorder
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{BACK:Tools} This script reorders the geometry. If used without parameters, the order of atoms is the unique order based on topology described in ^[1^]. parameter '''-t''' / '''-^-template''' allows to specify a template geometry (must have the same topology for meaningful result), and the geometry is reordered to the order of the template (by matching the topologies). !! References ^[1^] David Weininger, Arthur Weininger and Joseph L. Wieninger, J. Chem. Inf. Comput. Sci. 29, 97-101, 1989.
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