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11 - 13 of 13 search results for `download the example` |u:www.ccdc.cam.ac.uk

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  2. Table of Contents The Purpose of…

    https://www.ccdc.cam.ac.uk/media/Documentation/F660721C-0B58-48E6-A8AE-76DD0803FC3D/GOLD-tutorial-PosePrediction.pdf
    17 Jan 2023: Please download the example folder of input files. Is this an easy docking? ... You can download the “Re-refined and rebuilt structure”, 2w5y_final.pdb, from PDB-REDO for comparison.

  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: Materials. For this workshop you will need the file example.cif that you can download here. ... mol2 file that contains the. molecule from the example. cif file that we kept from earlier.

  4. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Documentation/E8327590-2CDF-40AF-8092-28B67E58BE72/Ligand_Based_Virtual_Screening_Tutorial.pdf
    17 Jan 2023: and enrichment metrics will be calculated. Please download the example files here. ... For example,. they can be used as input for the CSD Ligand Overlay to generate overlay.

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