OpenCubMan stands for the Open-Source Cubefile Manipulator Program.
It is a tool to perform operations on files containing volumetric data representing molecular orbitals or electron densities.
This program is an intermediate tool between electronic structure codes
(e.g. Gaussian or NWChem) and the true visualization packages (like VMD).
The most important feature of OpenCubMan is the ability to integrate electron density represented in
the cube file to provide a relation between the fraction of electron and the orbital (or orbital density)
contour value used to plot the orbital. Other features include operations like zeroing particular parts of the cube file,
The details of methods implemented in OpenCubMan, as well as examples of applications were described in the following article:
First release of OpenCubMan
The release of Version 1.00 is now available. Please download it from SF download page.
After you download and extract the file, please see README.1st file for a short manual.