Xyz File Format (Paperback)

High Quality Content by WIKIPEDIA articles! The XYZ file format is a chemical file format. There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines. The file format is used in computational chemistry programs for importing and exporting geometries. The units are generally in Angstroms. This article discusses some common molecular file formats, including usage and converting between them. It also lists a few sources for freely obtaining chemical data on the Internet. Chemical information is usually provided as files or streams and many formats have been created, with varying degrees of documentation.