Introduction

Welcome to the Docking Toolkit documentation

The Docking Toolkit library provides a facility for docking and scoring molecules in the context of a protein active site.

The following basic functionalities are available:

The aim of this manual is to familiarize the user with the Docking Toolkit functionalities, however, it does not provide explanations of basic OEChem classes and functions. Therefore reading the OEChem manual beforehand is highly recommended.

Getting Started