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1 - 5 of 5 search results for `Download file` |u:www.ccdc.cam.ac.uk

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  2. MOG-001 1 Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/HG-Mogul-Intro-MOG-001.pdf
    19 Jun 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link. ... You will need the file 1JR1_ligand.pdb for this example (downloadable from Materials section).

  3. Table of Contents UTry – it’s your…

    https://www.ccdc.cam.ac.uk/media/WebCSD_CSDU_UTry.pdf
    25 Jan 2024: Please contact your site administrator for further information. Materials Download the MOL file for nirmatrelvir here. ... Download the MOL file from here if you have not already done so.

  4. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Searching_CSD_with_WebCSD.pdf
    20 Dec 2023: WCSD-002. 8. 20. Click Download at the bottom of the results list to download entries as CIF files or as a GCD file, which allows you to load the CSD ... Quick access to elements. 3D parameters menu. Upload MOL file. Input SMARTS here.

  5. Introduction to the CSD Python API (PYAPI-001) 2023.1 CSD ...

    https://www.ccdc.cam.ac.uk/media/Introduction-to-API.pdf
    23 Jun 2023: Materials. For this workshop you will need the file example.cif that you can download here. ... should write in your Python file, along with explanations of what the code does.

  6. CSD Portfolio Release Notes

    https://www.ccdc.cam.ac.uk/media/release-installation-notes-1.pdf
    27 Mar 2024: To install IsoStar on Linux:. Download the IsoStar-linux-x64-installer.run installer file. Ensure that the installer executable has execute permissions viathe command:. ... The location of these files is identified by selecting a CSDdatabase information

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