A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01187
Abstract: We present an improved algorithm to solve the near-congruence problem for rigid molecules and clusters based on the iterative application of assignment and alignment steps with biased Euclidean costs. The algorithm is formulated as a… read more here.
Keywords: algorithm; near congruence; solve near; congruence problem ... See more keywords