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  2. Table of Contents Purpose of Docking…

    https://www.ccdc.cam.ac.uk/media/Documentation/EE9787F1-9256-4A91-8264-95371DCD8008/GOLD-tutorial-Flexibility-Constraints.pdf
    17 Jan 2023: Please download the example files for this tutorial. You will balance flexibility and constraints in two separate docking experiments trying to predict the poses of:. • ... To achieve this:. 1. Center on and label the Val828 in the 3D view.

  3. Introduction to the CSD Python API (PYAPI-001) 2020.3 CSD ...

    https://www.ccdc.cam.ac.uk/media/Documentation/6AA69486-FA98-4182-84F9-50A586CC0B04/CSD-Python-API-workshop.pdf
    17 Jan 2023: performed analysis steps. This workshop is an introduction to the CSD Python API. ... Materials. For this workshop you will need the file example.cif that you can download here.

  4. GOLD User Guide

    https://www.ccdc.cam.ac.uk/media/Documentation/0C5D99BC-7CC3-49B6-8319-06BEA8CA342D/GOLD_User_Guide_2020_1.pdf
    17 Jan 2023: knowledge. This document will guide you through the wealth of. options (e.g. ... question will be replaced with a dummy atom type Du. If this is.

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