xyz

xyz data is a type of data commonly used in molecular simulations. It is readable by programs like rasmol and contains information about the x, y, and z coordinates of atoms in a system. An xyz formatted file begins with an integer that specifies the number of particles in the system, two newlines. Each line after this contains a letter for the type of atom (O, S, N, etc) and three tab-delimeted floats:

5

O       0       0.00197 0.083262
O       0.353286        0.729204        0.182662
O       0.184596        0.974434        1.0535
O       0.908866        0.466356        1.66258
O       1.86346 1.13612 1.11219

Note: To be read by rasmol, an xyz file must terminate with two newlines.