| Literature DB >> 15032540 |
Abstract
An algorithm for molecular symmetry perception is presented. The method identifies the full set of molecular symmetry elements (proper and improper) and determines their coordinates. The algorithm eliminates the necessity to explore the entire graph automorphism group; as a result its computer application is extremely effective. Application to several dendrimers and fullerenes with high topological symmetry is presented.Year: 2004 PMID: 15032540 DOI: 10.1021/ci0341868
Source DB: PubMed Journal: J Chem Inf Comput Sci ISSN: 0095-2338