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An impossible utopia in distance geometry

by   Germano Abud, et al.
University of Campinas

The Distance Geometry Problem asks for a realization of a given weighted graph in ℝ^K. Two variants of this problem, both originating from protein conformation, are based on a given vertex order (which abstracts the protein backbone). Both variants involve an element of discrete decision in the realization of the next vertex in the order using K preceding (already realized) vertices. The difference between these variants is that one requires the K preceding vertices to be contiguous. The presence of this constraint allows one to prove, via a combinatorial counting of the number of solutions, that the realization algorithm is fixed-parameter tractable. Its absence, on the other hand, makes it possible to efficiently construct the vertex order directly from the graph. Deriving a combinatorial counting method without using the contiguity requirement would therefore be desirable. In this paper we prove that, unfortunately, such a counting method cannot be devised in general.


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