Introduction

We expect that you are familiar with at least some Python and have used OpenEye toolkits before. The main purpose of this documentation is to illustrate that by combining various OpenEye toolkits you can solve a wide range of cheminformatics and molecular modeling problems.

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The OpenEye Toolkit Ecosystem

Outline of Recipes

Each recipe in this documentation is divided into the following sections:

  • Problem - brief description of the problem you are trying to solve

  • Ingredients - the list of the OpenEye toolkits you need to solve this problem

  • Difficulty Level - each recipe is put into one of the following categories:

    novice

    Requires very little prior knowledge.

    _images/chilly3.png
    intermediate

    Requires a fair understanding of the toolkit libraries that are used to solve the problem.

    _images/chilly3.png _images/chilly3.png
    expert

    Requires a deep understanding of the toolkit libraries that are used to solve the problem.

    _images/chilly3.png _images/chilly3.png _images/chilly3.png
  • Download - most recipes provide complete python code that you can download.

    Download code

    xlogp2pdf.py

  • Solution - code snippet(s) with detailed explanations about how to solve the problem

  • Usage - example of utilizing the provided Python script

  • Discussion - further discussion and additional code snippet(s) to solve similar problems

  • See Also - links and references to other OpenEye toolkit manuals