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1 - 10 of 11 search results for `download here` |u:www.ccdc.cam.ac.uk

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  2. Reciprocal lattice worksheet

    https://www.ccdc.cam.ac.uk/media/resources/mzl0.doc
    17 Jan 2023: Lab Final handout – Crystal Growth. Crystallography and Diffraction. Prof. Zdilla, Spring. Methods of Crystal Growth. In this lab, we will attempt to grow X-ray diffraction quality crystals. Recrystalization methods normally use two types of

  3. 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.

  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. 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.

  6. 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.

  7. 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: 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.

  8. 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: experimental structures as they are to the examples shown here using entries in the Cambridge. ... Materials. For this workshop you will need the file example.cif that you can download here.

  9. Table of Contents Ensemble Docking…

    https://www.ccdc.cam.ac.uk/media/Documentation/0D5504D3-81F2-46D3-9D1D-16787D07F70B/GOLD-tutorial-EnsembleDocking.pdf
    17 Jan 2023: not treat the set in any kind of ‘averaged’ capacity. Please download the tutorial input files here. ... binding site definition. It can help here to switch off the display H-atoms.

  10. Table of Contents Docking with Water in the Binding ...

    https://www.ccdc.cam.ac.uk/media/Documentation/4DDADBC4-A645-4E44-AD37-73D09F04C298/GOLD-DockingWater-tutorial.pdf
    17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Here, we will illustrate the requirements for setting up and running docking with active water.

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

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