Welcome to the Eon Toolkit Documentation

The purpose of Eon TK is to provide a public API for enhancing the user’s capabilities to create workflows modeling the electrostatics of molecules. The following types of calculations for molecules of interest are possible with the current version of Eon TK:

  • Shape and charge density similarity.

  • Shape and Poisson-Boltzmann (PB) potential similarity.

  • Shape and charge overlay.

  • Shape and PB potential overlay.

We refer the interested reader to the following resources for further details.