XYZ File Documentation

Overview

Feature Value
File Extension .xyz
Primary Use Chemical informatics
Data Format Text
Compressible Yes
MIME Type chemical/x-xyz
Open Format Yes
File Structure Line-based
First Line Number of atoms
Second Line Comment (optional)
Coordinate Representation Cartesian
Units Angstroms
Element Specification Atomic symbol
Decimal Delimiter Space or tab
Applications Molecular modeling, chemical software
Advantage Simple and easy to parse
Limitation No support for bond information
Versioning Not applicable
Binary Equivalent None
Standardization None
Encoding ASCII