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  2. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Introduction-to-IsoStar.pdf
    13 Jun 2023: PDB? 12. Go back to the IsoStar website and download the phenyl group information. ... Exercises • Download the IsoStar CSD data for the interaction of a charged pyridine ring.

  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/Introduction-to-Hermes.pdf
    13 Jun 2023: Materials For this workshop we will use the files that you can download from here. ... Here the ligand is coloured such that carbon atoms are green (Custom Carbon…) but all heteroatoms are their normal (by element) colours.

  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. ... the CSD entry AABHTZ. Here we are editing the script to simply read out some further attributes.

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