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  2. Latest Updates in CCDC Software and Data | CCDC

    https://www.ccdc.cam.ac.uk/solutions/whats-new/
    17 Jul 2024: the Downloads page here, and this download will contain the latest data update. ... and this download will contain the latest data update.
  3. CSD MOF Collection | CCDC

    https://www.ccdc.cam.ac.uk/free-products/csd-mof-collection/
    17 Jul 2024: As the variety of metal-organic framework (MOF) structures has grown, we wanted to ensure research in this field continues – with high quality data to underpin it. ... Download the collection here – you will need to provide a current email address
  4. Download CSD Data and Software | CCDC

    https://www.ccdc.cam.ac.uk/support-and-resources/download-the-csd/
    17 Jul 2024: Downloads. You can download CSD data and software to your machine from this page.
  5. Training and Support Videos | CCDC

    https://www.ccdc.cam.ac.uk/community/training-and-learning/ccdc-videos/
    17 Jul 2024: In this short educational video, Rosie Lester introduces us to symmetry operations and symmetry elements and point groups. ... This includes how to download and install Mercury, GOLD, CSD data, and all the other applications.
  6. IYPT Crystals Activities | CCDC

    https://www.ccdc.cam.ac.uk/discover/blog/iypt-crystals-activities/
    17 Jul 2024: 3D. This deck of battlecards wishes to be a window onto the periodic table and the crystallographic world. ... A reward is waiting for you after playing the game! You can ask an adult to download a virtual collectable badge from this No printer?
  7. DASH | CCDC

    https://www.ccdc.cam.ac.uk/open-source-products/dash-software/
    17 Jul 2024: This not only speeds up structure solution but can also make challenging problems tractable. ... This allows anybody to download and use DASH, and also contribute to developing it further.
  8. Scientific Data Preservation Policy | CCDC

    https://www.ccdc.cam.ac.uk/about-us/accreditation-and-policies/scientific-data-preservation-policy/
    17 Jul 2024: Data stored in this deactivated state cannot be further processed or accessed externally. ... This includes all individuals who interact, view, or download data via CCDC online services.
  9. CHM2320_Sp16_MercuryIntroduction.pages

    https://www.ccdc.cam.ac.uk/media/Metal-Organic-Intro.pdf
    17 Jan 2023: This database contains over 500 structures and can be accessed from the Database menu by choosing Database > Open the Teaching Subset. ... Once this database is open, you should see the accession codes for the crystal structures shown in the Structure
  10. Crystal Structure Visualisation with | CCDC

    https://www.ccdc.cam.ac.uk/solutions/software/free-mercury/
    17 Jul 2024: Solutions. Back. Solutions. By Field. By Use Case. By Suite. Software. Software Integrations. Community. Back. Community. Access/Deposit Structures. CCDC for the Community. Partnerships and Initiatives. Education and Outreach. Training and Learning.
  11. Structural Chemistry Teaching Resources | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/education/teaching-modules/
    17 Jul 2024: Download Introduction to Optical Isomerism and Chirality Module. Download Introduction to Symmetry Operations and Point Groups Module. ... Download Introduction to Crystallography Exercise. The Cambridge Crystallographic Data Centre. 12 Union Road.
  12. June 2022 CSD data update | CCDC

    https://www.ccdc.cam.ac.uk/discover/blog/june-2022-csd-update/
    17 Jul 2024: On the subject of MOFs, new structures include this 3D europium framework (CSD Entry LEJVAB). ... An example of one of these structures is this tris(pyrazolyl)borate cobalt complex (CSD Entry BECBUK).
  13. 1 Note: the image above has the only scope ...

    https://www.ccdc.cam.ac.uk/media/SymmetryOperations-and-PoinGroups_Worksheet.pdf
    17 Jan 2023: 1 Note: the image above has the only scope to provide an example of the operation and element of immediate visualisation, even though the result of the operation does not make the molecule appear same as before. σ. σ. σ σ σ. σ. σh. •. •.
  14. September 2022 CSD Data Update | CCDC

    https://www.ccdc.cam.ac.uk/discover/blog/september-2022-csd-data-update/
    17 Jul 2024: This data update brings you 15,538 new organic and metal-organic experimentally determined structures (16,731 new entries) and increases the total size of the CSD to nearly 1.2 ... To use this auto-update mechanism you need to have already installed
  15. 2023 CSD Releases | CCDC

    https://www.ccdc.cam.ac.uk/solutions/whats-new/2023-csd-releases/
    17 Jul 2024: If you are using a previous software (version 2022.3 or earlier), you will need to install the software from Downloads, and this download will contain the latest data update. ... If you are using a previous software (version 2022.3 or earlier), you will
  16. Make Your Own Snow | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/science-festivals/snow-crystals/
    17 Jul 2024: In this activity we will learn what snow is made of and watch how we can make a form of snow. ... In this experiment our polymer chain is made up of a chemical called acrylic acid joined together in a chain.
  17. November 2022 CSD Data Update | CCDC

    https://www.ccdc.cam.ac.uk/discover/blog/csd-data-update-november-2022/
    17 Jul 2024: This update brings 8,256 new experimentally determined structures (8,638 new entries). ... Included in this update is an entry from Clegg and Harrington featuring a tri-manganese cluster.
  18. 2021 CSD Releases | CCDC

    https://www.ccdc.cam.ac.uk/solutions/whats-new/2021-csd-releases/
    17 Jul 2024: To install 2021.1 from scratch, request installer downloads from from this page. ... Learn more in this 2-minute preview video:. CSD-Editor Release (March 2021).
  19. Crystals of Sugar | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/science-festivals/crystals-of-sugar/
    17 Jul 2024: This activity will introduce you to the concept of crystallization, which is the process through which crystals are made. ... At this point our solution is known as a supersaturated solution and we know our solution is ready.
  20. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Introduction-to-IsoStar.pdf
    13 Jun 2023: from the PDB (521 entries). Open this in IsoStar as you did previously. ... IsoGen is a Linux-only program and is not covered in this tutorial.
  21. Download scripts for the CSD Python API from the CSD GitHub…

    https://www.ccdc.cam.ac.uk/discover/blog/download-csd-python-api-scripts-github/
    17 Jul 2024: Access the CSD GitHub repository here to download, edit and submit scripts for the CSD Python API. <<. ... To download 1 set of scripts from the CSD GitHub repo, follow the instructions here..
  22. Collectable Badges | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/collectable-badges/
    17 Jul 2024: Collect them all! View. View. View. View. games you need to play before downloading this virtual badge – but we recommend to keep the fun and the learning going!
  23. IYPT Crystals BattlecardsAges 8+ For 2+ players To mark ...

    https://www.ccdc.cam.ac.uk/media/IYPTCrystals_Battlecards_Rules_0.pdf
    17 Jan 2023: The images present on the cards were realised using Mercury. A f ree version of this software is available to download f rom the CSD Community webpage. ... This is a community led project involving volunteer contributors throughout the crystallographic
  24. Accelerating Drug Discovery with the CCDC, AWS, and Intel: Curated…

    https://www.ccdc.cam.ac.uk/discover/blog/accelerating-drug-discovery-with-the-ccdc-aws-and-intel/
    17 Jul 2024: Key Benefits. Accessibility: This data set is freely available, enabling widespread use in drug discovery research and development. ... This initiative democratizes access to critical data, empowering scientific advancement regardless of access to
  25. Crystals Showcase | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/crystals-showcase/
    17 Jul 2024: At the end of this activity, don’t forget to collect your reward! ... What You Will Need:. This activity can be carried out online on a computer or you can download and print the activity worksheet.
  26. Teaching Tutorial - Hydrogen bond Definition, examples, special cases …

    https://www.ccdc.cam.ac.uk/media/Teaching-Tutorial-Hydrogen-Bond.pdf
    17 Jan 2023: Following this convention, we. represent the hydrogen bond with a dotted line, as follows:. ... can call “XI”. By expanding this concept, we can think of hydrogen bond chains connecting different molecules.
  27. The Cambridge Structural Database to 1.25M and Beyond | CCDC

    https://www.ccdc.cam.ac.uk/discover/blog/the-cambridge-structural-database-to-1-25m-and-beyond/
    17 Jul 2024: This update also contains 1860 CSD Communication entries that are not available elsewhere. ... If you are still using a previous software (version 2022.3 or earlier), you will need to install the software from Downloads - The Cambridge Crystallographic
  28. How Crystals Are Made | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/how-crystals-are-made/
    17 Jul 2024: At the end of this activity, don’t forget to collect your reward! ... What You Will Need:. This activity can be carried out online on a computer or you can download and print the activity worksheet.
  29. 1 Table of Contents Try – it’s your turn! ...

    https://www.ccdc.cam.ac.uk/media/CSDU-Mogul101-Try.pdf
    17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link. ... Double-. click this line to bring up the data from the Mogul library.
  30. 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/
    17 Jul 2024: This project is linking volunteers from all areas of STEM to projects fighting the virus. ... to tell us and we’ll update this list. Tags. The Cambridge Crystallographic Data Centre.
  31. Lego, Chocolate and Polymorphs | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/lego-chocolate-and-polymorphs/
    17 Jul 2024: You will find out and learn about these crystal forms in this hands-on activity. ... Please, ask an adult to download it from this webpage.
  32. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/CSDC-AccessStructures.pdf
    9 Jun 2023: More tips for using the 3D visualiser can be found on this page. ... Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, UK. Conclusion This example shows the different download options available and how to cite data obtained via Access
  33. Guide to CIFs | CCDC

    https://www.ccdc.cam.ac.uk/community/access-deposit-structures/deposit-a-structure/guide-to-cifs/
    17 Jul 2024: This is usually used to store a table of values, such as atom coordinates. ... An example of this is the value for U iso of the atom labelled H1 in Example 6.
  34. Identikit of Common Substances | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/identikit-of-common-substances/
    17 Jul 2024: Please, ask an adult to download collectable virtual badge for this activity from this webpage. ... This also includes ideas on how to carry out the activity in teams.
  35. Celebrating CCDC Founder and Crystallographer, Dr Olga Kennard’s IUCr …

    https://www.ccdc.cam.ac.uk/discover/blog/celebrating-ccdc-founder-and-crystallographer-dr-olga-kennards-iucr-ewald-prize/
    17 Jul 2024: Undoubtedly, this is the product of the vision of Dr Kennard leading an outstanding team of talented scientists and collaborators (Frank Allen, Sam Motherwell, and many others). ... This blog captures a handful of the inspiring ways Olga has impacted
  36. MOG-001 1 Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/HG-Mogul-Intro-MOG-001.pdf
    19 Jun 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link. ... Double-. click this line to bring up the data from the Mogul library.
  37. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/CSDC-Deposition.pdf
    6 Jun 2023: Pre-required Skills. There are no pre-required skills for this workshop. Materials. ... 4. Click Retrieve Deposited Files; this will allow you to download a zip file.
  38. IYPT Crystals BattlecardsAges 8+ For 2+ players To mark ...

    https://www.ccdc.cam.ac.uk/media/elements/activities/iyptcrystals_battlecards_rules_0.pdf
    17 Jan 2023: The images present on the cards were realised using Mercury. A f ree version of this software is available to download f rom the CSD Community webpage. ... This is a community led project involving volunteer contributors throughout the crystallographic
  39. Table of Contents Try – it’s your turn!…

    https://www.ccdc.cam.ac.uk/media/GOLD-101_handout-1.pdf
    17 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.
  40. Table of Contents UTry – it’s your…

    https://www.ccdc.cam.ac.uk/media/WebCSD_CSDU_UTry.pdf
    25 Jan 2024: Download the MOL file from here if you have not already done so. ... 10) This time, a single result, only BUXNUD01 is returned. You may wish to.
  41. DECOR | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/education/decor/
    17 Jul 2024: This resource originated from the DECOR project set up by Mike Zdilla at Temple University. ... Mike Zdilla kindly donated this resource to the CCDC to host in 2020.
  42. 1 A short guide to Crystallographic Information Files A ...

    https://www.ccdc.cam.ac.uk/media/MoreInformationAboutCIFsyntax.pdf
    28 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.
  43. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Introduction-to-Hermes.pdf
    13 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.
  44. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Searching_CSD_with_WebCSD.pdf
    20 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.
  45. Table of Contents Protein-ligand docking with GOLD…

    https://www.ccdc.cam.ac.uk/media/Intro-Protein-Ligand-Docking-GLD-001.pdf
    17 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.
  46. Introduction to the CSD Python API (PYAPI-001) 2023.1 CSD ...

    https://www.ccdc.cam.ac.uk/media/Introduction-to-API.pdf
    23 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.
  47. MOG-001 1 Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Documentation/86E7457F-D9A2-4DA4-99C3-37B79E9C8960/HG-Mogul.pdf
    17 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.
  48. Programmatic access to the CSD using the CSD Python ...

    https://www.ccdc.cam.ac.uk/media/csdu-csd-python-api-101-try.pdf
    17 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:.
  49. CSD Portfolio Release Notes

    https://www.ccdc.cam.ac.uk/media/release-installation-notes-1.pdf
    27 Mar 2024: Please see this FAQ for details on how to resolve any issues duringinstallation. ... 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
  50. Table of Contents The Purpose of…

    https://www.ccdc.cam.ac.uk/media/Documentation/F660721C-0B58-48E6-A8AE-76DD0803FC3D/GOLD-tutorial-PosePrediction.pdf
    17 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.
  51. 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.pdf
    17 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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