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MOG-001 1 Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/HG-Mogul-Intro-MOG-001.pdf19 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). -
Table of Contents UTry – it’s your…
https://www.ccdc.cam.ac.uk/media/WebCSD_CSDU_UTry.pdf25 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. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Searching_CSD_with_WebCSD.pdf20 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. -
Introduction to the CSD Python API (PYAPI-001) 2023.1 CSD ...
https://www.ccdc.cam.ac.uk/media/Introduction-to-API.pdf23 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. -
CSD Portfolio Release Notes
https://www.ccdc.cam.ac.uk/media/release-installation-notes-1.pdf27 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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