| Literature DB >> 2206485 |
Abstract
A simple method is described for determining the reference coordinate system of a list of atomic coordinates. The reference system is characterized by finding the optimal metric tensor on the basis of the expected bond lengths. The ability to identify the correct frame of reference is important for structures solved in non-orthogonal unit cells.Mesh:
Substances:
Year: 1990 PMID: 2206485 DOI: 10.1107/s0108767390002793
Source DB: PubMed Journal: Acta Crystallogr A ISSN: 0108-7673 Impact factor: 2.290