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1 - 10 of 15 search results for `download the example` |u:www.ccdc.cam.ac.uk

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  2. Downloads ​ ​- The Cambridge…

    https://www.ccdc.cam.ac.uk/support-and-resources/downloads
    Example CIF 1 for CSD Deposit with Syntax Error. Download an example CIF with syntax error by clicking on the download link. ... Example CIF 2 for CSD Deposit without Syntax Error. Download an example CIF without syntax error by clicking on the download

  3. 1 Table of Contents Try – it’s your turn! ...

    https://www.ccdc.cam.ac.uk/media/CSDU-Mogul101-Try.pdf
    17 Jan 2023: You will need the file 1JR1_ligand.pdb for this example (downloadable from Materials section). ... 2. Click Load… and select the file 1JR1_ligand.pdb (provided for you along with this example).

  4. Table of Contents Try – it’s your turn!…

    https://www.ccdc.cam.ac.uk/media/GOLD-101_handout-1.pdf
    17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Provided Input Files. Please download and unzip the input files from this link.

  5. MOG-001 1 Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Documentation/86E7457F-D9A2-4DA4-99C3-37B79E9C8960/HG-Mogul.pdf
    17 Jan 2023: from this link. Example of the Mogul geometry assessment interface. MOG-001 3. ... You will need the file 1JR1_ligand.pdb for this example (downloadable from Materials section).

  6. Table of Contents Protein-ligand docking with GOLD…

    https://www.ccdc.cam.ac.uk/media/Intro-Protein-Ligand-Docking-GLD-001.pdf
    17 Jan 2023: Provided Input Files. Please download and unzip the input files from this link. ... For this example, we will use the file 5SF_ideal.sdf (download it from Materials).

  7. Programmatic access to the CSD using the CSD Python ...

    https://www.ccdc.cam.ac.uk/media/csdu-csd-python-api-101-try.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.

  8. 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: Recap of the Related Pose Prediction Examples. 5. Aims of the Example on Flexibility and Constraints. ... Please download the example files for this tutorial. You will balance flexibility and constraints in two separate docking experiments trying to

  9. 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.

  10. 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.

  11. 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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