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DGSOL Distance Geometry Solver for Metacomputing Platforms. Jorge More' Golbon Zakeri Distance geometry problems are interesting mathematical problems with important applications in computational biology, the interpretation of NMR data, and the determination of protein structure. Distance geometry problems are difficult to solve. From a complexity viewpoint, obtaining an approximate solution to a distance geometry is NP-hard. From an optimization viewpoint, the number of local minimizers in distance geometry problems depend exponentially on the number of atoms. DGSOL solves distance geometry problems with a global continuation algorithm, with Gaussian smoothing of a merit function that only depends on the sparse distance data. Several minimizers are traced in the continuation process, and the best minimizer is selected as the global minimizer. In the current release of DGSOL, a variable-metric limited-memory code is used to trace the minimizers. DGSOL has been developed for both sequential and parallel architectures. More information on DGSOL :
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