cubeVis

A command line tool for generating 3D visualizations of cube files in VMD.

Preqrequisites

Assumes you have VMD installed and in your PATH.

Usage

bash cubeVis.sh [cube esp] [cube density] [bounds]

• cube esp: The cube file containing the ESP data.
• cube density: The cube file containing the electron density data.
• bounds: The scale factor for the ESP data. The ESP data will be cut off by this factor (+/-) before being visualized.