Algorithm 990

Abstract

For configurations of point-sets that are pairwise constrained by distance intervals, the EASAL software implements a suite of algorithms that characterize the structure and geometric properties of the configuration space. The algorithms generate, describe, and explore these configuration spaces using generic rigidity properties, classical results for stratification of semi-algebraic sets, and new results for efficient sampling by convex parametrization. The article reviews the key theoretical underpinnings, major algorithms, and their implementation. The article outlines the main applications such as the computation of free energy and kinetics of assembly of supramolecular structures or of clusters in colloidal and soft materials. In addition, the article surveys select experimental results and comparisons.