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Boosting Research Efficiency in Industry with FAIR Data | CCDC
https://www.ccdc.cam.ac.uk/discover/blog/boosting-research-efficiency-in-industry-with-fair-data/30 Jun 2024: In today’s blog, based on the webinar ‘Boosting Research Efficiency in Industry with FAIR Data’ (download the recording here), the FAIR data principles and their potential is discussed. -
What's the difference between free Mercury and full-licence…
https://www.ccdc.cam.ac.uk/discover/blog/the-difference-between-free-mercury-and-full-licence-mercury/30 Jun 2024: Here we explain the differences between the free and paid licence versions of Mercury. ... Or, if you don’t need all functions, for internal research, development or teaching download the free version of Mercury through CSD-Community here. -
How scientists can support COVID-19 research from home | CCDC
https://www.ccdc.cam.ac.uk/discover/blog/2020-03-24-how-scientists-can-support-covid-19-research-from/30 Jun 2024: Here we list collaborative projects which you can contribute to – even if you’re working from home. ... If you know about another project not listed here please email us at. -
Enhancing the Discoverability and Value of Crystal Structural Data –…
https://www.ccdc.cam.ac.uk/discover/blog/enhancing-the-discoverability-and-value-of-crystal-structural-data-the-csd-data-curation-process/30 Jun 2024: This blog, based on the webinar ‘The CSD Data Curation Process’ (download the recording here) discusses how the experimental data is further curated to enhance the discoverability and value of the ... More information on how to deposit data in the -
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. ... Here the ligand is coloured such that carbon atoms are green (Custom Carbon…) but all heteroatoms are their normal (by element) colours. -
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. -
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. ... Provided Input Files. Please download and unzip the input files from this link. -
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 Ensemble Docking…
https://www.ccdc.cam.ac.uk/media/Documentation/0D5504D3-81F2-46D3-9D1D-16787D07F70B/GOLD-tutorial-EnsembleDocking.pdf17 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.
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