Coordinate file formats

gOpenMol can handle a variety of coordinate and trajectory file formats. Most of the file formats are documented elsewhere.

Plot file (plt) format

The plot files are regular 3D grid files for plotting of molecular orbitals, electron densities or other molecular properties. The plot files are produced by several programs. It is also possible to format/unformat plot files using the pltfile program in the utility directory.

It is also possible to produce plot files with external (own) programs. Produce first a formatted text file and use then the pltfile program to unformat the file for gOpenMol.

The format for the plot files are very simple and a description of the format can be found here.