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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.

ESP