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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. ... As we aim to continuously improve our training materials, we would love to get your feedback. -
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. ... download it from Materials or from the Virtual Workshops webpage linked in. -
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. ... the CSD entry AABHTZ. Here we are editing the script to simply read out some further attributes. -
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. ... For this example, we will use the file 5SF_ideal.sdf (download it from Materials). -
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: 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. -
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. ... If you have not already, download the files from the link provided in the Materials section on page 3. -
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. ... the CSD entry AABHTZ. Here we are editing the script to simply read out some further attributes.
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