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CSD Portfolio Release Notes
https://www.ccdc.cam.ac.uk/media/release-installation-notes-1.pdf27 Mar 2024: This will involve the following steps:. Download the online CSD Release installer from https://www.ccdc.cam.ac.uk/support-and-resources/csdsdownloads/.This will require your Customer Number and Activation ... The installer will download the selected -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/75D6F5FC-8B6E-4795-BDCC-67A3300639A6/CSD-CrossMiner-tutorial-4-features-database.pdf17 Jan 2023: also available from workshops webpage), it will take less than 5 minutes to. ... complete. The feedback is anonymous. You will be asked to insert the workshop. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/DC4CF234-A5EC-494B-BC93-936314D78BB7/CSD-CrossMiner-tutorial2-pharmacophore-query.pdf17 Jan 2023: and drag using the middle mouse button (MMB). This will change the radius. ... the feature tick-box in the CSD-CrossMiner Show: toolbar (which will turn. -
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: analyse docking results. To get started, you will use the Hermes visualiser to:. • ... Please download the example folder of input files. Is this an easy docking? -
Table of Contents Purpose of Docking…
https://www.ccdc.cam.ac.uk/media/Documentation/EE9787F1-9256-4A91-8264-95371DCD8008/GOLD-tutorial-Flexibility-Constraints.pdf17 Jan 2023: Please download the example files for this tutorial. You will balance flexibility and constraints in two separate docking experiments trying to predict the poses of:. • ... You will:. • carefully inspect your protein crystal structure. • use -
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. ... click OK. You will be informed that 98 water molecules have been deleted. -
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.pdf17 Jan 2023: Materials. For this workshop you will need the file example.cif that you can download here. ... Giving the 'CSD' argument to the. EntryReader will open the installed CSD database. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/E8327590-2CDF-40AF-8092-28B67E58BE72/Ligand_Based_Virtual_Screening_Tutorial.pdf17 Jan 2023: and enrichment metrics will be calculated. Please download the example files here. ... includes up to 200 conformers of my_ligand.mol2. The command above will.
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