What is a .CUBE file?
The file extension .CUBE is associated with a Gaussian Cube File. This type of file is created by specific programs called cubegen and cubman, which are part of the Gaussian software package. Gaussian is a program used in computational chemistry to study the electronic structures of molecules.
A .CUBE file contains data in a format known as the Gaussian cube format. This data includes volumetric properties, which are essentially the three-dimensional coordinates (X, Y, and Z) of points on a grid. This grid is used to represent a molecular system in three dimensions. The file also typically includes information about the number of atoms in the molecule and the number of grid points, or voxels, along each of the three axes (X, Y, and Z).
To open a .CUBE file, you can use software programs that are capable of reading and processing this type of data. Some of the programs that can open .CUBE files include NWChem and Avogadro. Both of these programs are used in the field of chemistry for modeling and visualizing molecular structures.
In summary, a .CUBE file is a data file used in computational chemistry to represent molecular systems in three dimensions. It is created by Gaussian software and can be opened using programs like NWChem and Avogadro, which help chemists visualize and analyze molecular structures.
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