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Table of Contents Try – it’s your turn!…
https://www.ccdc.cam.ac.uk/media/GOLD-101_handout-1.pdf17 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. -
1 A short guide to Crystallographic Information Files A ...
https://www.ccdc.cam.ac.uk/media/MoreInformationAboutCIFsyntax.pdf28 Mar 2023: This is usually used to store a table of values, such as atom. ... hkl files. Older versions of refinement programs (e.g., SHELXL-97) may not do this. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Introduction-to-Hermes.pdf13 Jun 2023: Materials For this workshop we will use the files that you can download from here. ... For the purposes of this example, click the white colour box as shown. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Searching_CSD_with_WebCSD.pdf20 Dec 2023: WCSD-002. 2. Introduction. This workshop will introduce you to advanced searching using WebCSD. ... 10) This time, a single result, only BUXNUD01 is returned. You may wish to. -
Table of Contents Protein-ligand docking with GOLD…
https://www.ccdc.cam.ac.uk/media/Intro-Protein-Ligand-Docking-GLD-001.pdf17 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. -
Introduction to the CSD Python API (PYAPI-001) 2023.1 CSD ...
https://www.ccdc.cam.ac.uk/media/Introduction-to-API.pdf23 Jun 2023: performed analysis steps. This workshop is an introduction to the CSD Python API. ... Materials. For this workshop you will need the file example.cif that you can download here. -
MOG-001 1 Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/86E7457F-D9A2-4DA4-99C3-37B79E9C8960/HG-Mogul.pdf17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download. ... from this link. Example of the Mogul geometry assessment interface. MOG-001 3. -
Programmatic access to the CSD using the CSD Python ...
https://www.ccdc.cam.ac.uk/media/csdu-csd-python-api-101-try.pdf17 Jan 2023: Materials. For this workshop you will need the file example.cif that you can download here. ... accessing the underlying molecule from this entry. Add. these lines to your script:. -
Table of Contents The Purpose of…
https://www.ccdc.cam.ac.uk/media/Documentation/F660721C-0B58-48E6-A8AE-76DD0803FC3D/GOLD-tutorial-PosePrediction.pdf17 Jan 2023: Please download the example folder of input files. Is this an easy docking? ... 2. Use File > Open… to load 2w5y_protein.mol2. This file includes the. -
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.pdf17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Specify this ligand by clicking Add at the bottom of the GOLD Setup window.
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