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FAQs - The Cambridge Crystallographic Data…
https://www.ccdc.cam.ac.uk/support-and-resources/support/Downloads. Installation. Licensing. Product Information. Product Reference. Runtime Error. Software Usage. -
PowerPoint Presentation
https://www.ccdc.cam.ac.uk/media/Ice.pdf17 Jan 2023: •. •. Chemical name. Insert the common name here. Draw the molecule! Write or draw where you can find this molecule in your home. -
PowerPoint Presentation
https://www.ccdc.cam.ac.uk/media/jemsaw.pdf17 Jan 2023: •. •. Chemical name. Insert the common name here. Draw the molecule! Write or draw where you can find this molecule in your home. -
PowerPoint Presentation
https://www.ccdc.cam.ac.uk/media/sucros01.pdf17 Jan 2023: β. α. •. •. Chemical name. Insert the common name here. Draw the molecule! Write or draw where you can find this molecule in your home. -
Make your own Snow! In this activity we will ...
https://www.ccdc.cam.ac.uk/media/Make_your_own_snow.pdf17 Jan 2023: A clean surface to work on. You can download and print the activity worksheet or follow along on a device. -
https://www.ccdc.cam.ac.uk/media/bound-backx8-A4.pdf
https://www.ccdc.cam.ac.uk/media/bound-backx8-A4.pdf17 Jan 2023: -
Crystals of Sugar This activity will introduce you to ...
https://www.ccdc.cam.ac.uk/media/Crystals_of_Sugar.pdf17 Jan 2023: Plate (2). Saucepan. Tall, cylindrical glasses/ jars. Clothing pegs. Stove. You can download and print the activity worksheet or follow along on a device. -
https://www.ccdc.cam.ac.uk/media/bound-backx8-letter.pdf
https://www.ccdc.cam.ac.uk/media/bound-backx8-letter.pdf17 Jan 2023: -
3D pri nte d m od els of chem ...
https://www.ccdc.cam.ac.uk/media/point-goup-key.pdf17 Jan 2023: 3D. pri. nte. d m. od. els. of. chem. ical. mo. lecu. les. rep. rese. nti. ng. dif. fere. nt. po. int. gro. up. s o. f sy. mm. etry. KEY. : M. atch. th. e m. od. els. wit. h c. orr. ect. po. int. gro. up. s. htt. ps:. //w. ww. sh. apew. ays. com. -
https://www.ccdc.cam.ac.uk/media/PointGroups-FlowChart.pdf
https://www.ccdc.cam.ac.uk/media/PointGroups-FlowChart.pdf17 Jan 2023: -
CHM2320_Sp16_MercuryIntroduction.pages
https://www.ccdc.cam.ac.uk/media/Metal-Organic-Intro.pdf17 Jan 2023: CHM2320 - Inorganic Chemistry Dr. Anthony L. Fernandez. Spring 2016. Introduction to Mercury. The Cambridge Crystallographic Data Centre (CCDC) distributes Mercury, which is a program that can be used to view and analyze crystal structure data. We -
Reciprocal lattice worksheet
https://www.ccdc.cam.ac.uk/media/resources/mzl0.doc17 Jan 2023: Lab Final handout – Crystal Growth. Crystallography and Diffraction. Prof. Zdilla, Spring. Methods of Crystal Growth. In this lab, we will attempt to grow X-ray diffraction quality crystals. Recrystalization methods normally use two types of -
Experimenting with Chocolate In this activity we will look ...
https://www.ccdc.cam.ac.uk/media/Experimenting_with_Chocolate.pdf17 Jan 2023: You can download and print the activity worksheet or follow along on a device. -
Lego, Chocolate, and Polymorphs.What is a crystal?A crystal is ...
https://www.ccdc.cam.ac.uk/media/CCDC_lego_ed_sheet.pdf17 Jan 2023: catchy. Congratulations on completing the activity!You can download your collectable virtual badge. -
Introduction to optical isomerism & chirality Introduction Hello! …
https://www.ccdc.cam.ac.uk/media/IntroductionToOpticalIsomerism-transcript.pdf17 Jan 2023: JEKNOC10, THALID03. You can visualise and download the structures for free from CCDC's Access Structures service:. ... Mercury. visualisation software is available to download for free https://www.ccdc.cam.ac.uk/Community/csd-. community/FreeMercury/. -
PowerPoint Presentation
https://www.ccdc.cam.ac.uk/media/csdu-csd-python-api-101-slides.pdf17 Jan 2023: Download, use, edit, and sharescripts with the community. https://github.com/ccdc-opensource/csd-python-api-scripts. CSD Python API: Interface. • -
1 pdb101.rcsb.or g • ccdc.cam.a c.uk Contents Get to ...
https://www.ccdc.cam.ac.uk/media/Rules-A4.pdf17 Jan 2023: 1. pdb101.rcsb.or. g • ccdc.cam.a. c.uk. Contents. Get to Know the Cards. Page 2. Bound! Game Instructions. Page 3. Memory Games. Page 4. Protein-Drug Binding Overview. Page 5. Learn more about Proteins and Drugs. Page 6. Target Audience: Ages 12 -
1 Table of Contents Try – it’s your turn! ...
https://www.ccdc.cam.ac.uk/media/CSDU-Mogul101-Try.pdf17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link. -
1 pdb101.rcsb.or g • ccdc.cam.a c.uk Contents Get to ...
https://www.ccdc.cam.ac.uk/media/Rules-letter.pdf17 Jan 2023: 1. pdb101.rcsb.or. g • ccdc.cam.a. c.uk. Contents. Get to Know the Cards. Page 2. Bound! Game Instructions. Page 3. Memory Games. Page 4. Protein-Drug Binding Overview. Page 5. Learn more about Proteins and Drugs. Page 6. Target Audience: Ages 12 -
PowerPoint Presentation
https://www.ccdc.cam.ac.uk/media/CSD-in-numbers-poster-2019.pdf17 Jan 2023: 44 (0)1223 336408 www.ccdc.cam.ac.uk 44 (0)1223 336408 www.ccdc.cam.ac.uk. The Cambridge Structural Database (CSD) in Numbers Yu Gan, Suzanna Ward, Matthew Lightfoot, Clare Tovee, Philip AndrewsThe Database Team, The Cambridge Crystallographic Data -
Teaching Tutorial - Hydrogen bond Definition, examples, special cases …
https://www.ccdc.cam.ac.uk/media/Teaching-Tutorial-Hydrogen-Bond.pdf17 Jan 2023: Teaching Tutorial. -. Hydrogen bond Definition, examples, special cases. Course of. General and Inorganic Chemistry. Author:. Stefano Canossa. Reviewed by. Prof. Alessia Bacchi. Università degli Studi di Parma,. Dipartimento di Chimica. Teaching -
1 Note: the image above has the only scope ...
https://www.ccdc.cam.ac.uk/media/SymmetryOperations-and-PoinGroups_Worksheet.pdf17 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. •. •. -
IYPT Crystals BattlecardsAges 8+ For 2+ players To mark ...
https://www.ccdc.cam.ac.uk/media/IYPTCrystals_Battlecards_Rules_0.pdf17 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. -
Data Access Data Deposition(Ingest) Data Publication Data Curation…
https://www.ccdc.cam.ac.uk/media/CCDC_online_Database_Workflow_v3.pdf17 Jan 2023: Data Access. Data Deposition(Ingest). Data Publication. Data Curation. Metadata and terms of deposition confirmed by the depositor. CIF, HKL and FCF data deposited via the CCDC deposition and validation service. Depositor’s responses to checks and -
In this handout you will find guidelines for the ...
https://www.ccdc.cam.ac.uk/media/CCDC_identikit_procedure.pdf17 Jan 2023: You can download the collectable virtual badge following the instructions on our webpage. -
Understanding molecules by exploring crystal structures Chemistry,…
https://www.ccdc.cam.ac.uk/media/Web-Structure-exploration.pdf17 Jan 2023: Understanding molecules by exploring crystal structures Chemistry, Physics Target age group: High school/A-Level/University students (16+ y.o.) Description: This learning module exposes students to the structures of molecules by allowing them to -
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. -
Exercises
https://www.ccdc.cam.ac.uk/media/resources/MZ-Exercises.docx17 Jan 2023: Exercises. Please read - If you intend to use this resource in a classroom setting, you must agree to cite Mike Zdilla, Temple University. Answers to the exercises are available upon request. Contents Exercises 1 1a. Unit Cells 1 1b. Unit Cells 2 -
IYPT Crystals BattlecardsAges 8+ For 2+ players To mark ...
https://www.ccdc.cam.ac.uk/media/elements/activities/iyptcrystals_battlecards_rules_0.pdf17 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. -
Exercises
https://www.ccdc.cam.ac.uk/media/resources/practiceproblems_george_sheldrick.docx17 Jan 2023: Exercises. Please read - If you intend to use this resource in a classroom setting, you must agree to cite George Sheldrick, Georg-August-Universität Göttingen. Contents Exercises 1 1. Symmetry Elements 1 2. Symmetry, Point Groups 1 3. Unit cells, -
1 X-ray Crystallography Tim Royappa Department of Chemistry…
https://www.ccdc.cam.ac.uk/media/X-ray-crystallography-exercise-teaching-subset.pdf17 Jan 2023: 1. X-ray Crystallography Tim Royappa. Department of Chemistry University of West Florida. Introduction When X-rays strike a crystal, they are diffracted by the ordered atoms in the crystal, via elastic scattering from the electrons. Measurements of -
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: Materials. For this workshop you will need the file example.cif that you can download here. ... https://visualstudio.microsoft.com/downloads/). 4. Example 1: Demonstrating Input and Output. Aim. This example will focus on understanding the basic -
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. -
1 CSD Communications Today I would like to present ...
https://www.ccdc.cam.ac.uk/media/CSD-Communications_Chinese-English-63a1f49e05816.pdf17 Jan 2023: 1. CSD Communications Today I would like to present to you: CSD Communications! 今天我给大家介绍一下 CSD 通讯!. CSD Communications are a fast alternative to publish your data. If you deposit your data as a CSD. Communication, it will -
MOG-001 1 Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/86E7457F-D9A2-4DA4-99C3-37B79E9C8960/HG-Mogul.pdf17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/42B1CDE7-5FA8-476B-A39F-094091FE591D/Pharmacophore-search-crossminer.pdf17 Jan 2023: our Downloads page. The supplied feature database contains a subset of the CSD and PDB. ... completed the database will be automatically loaded in CSD-CrossMiner. Note that the speed of the download depends on the quality of your network. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/1B53F2BF-DF53-4CF3-8FA4-C5F009BC6CE1/CSD-CrossMiner-tutorial3-pharmacophore-query.pdf17 Jan 2023: our Downloads page. The supplied feature database contains a subset of the CSD and PDB. ... Note that the speed of the download depends on the quality of your network. -
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: our Downloads page. The supplied feature database contains a subset of the CSD and PDB. ... Note that the speed of the download depends on the quality of your network. -
Table of Contents Customising a Pharmacophore Search Using…
https://www.ccdc.cam.ac.uk/media/Documentation/2A214494-74D1-417A-849B-32B0F7F1C49F/Substructure_features_crossminer.pdf17 Jan 2023: Table of Contents Customising a Pharmacophore Search Using CSD-CrossMiner. 2. Objectives. 2. Material. 2. Case Study. 3. Introduction. 3. Viewing the query overlay. 4. Creating a new substructure to a feature definition. 5. Creating the -
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: our Downloads page. The supplied feature database contains a subset of the CSD and PDB. ... Note that the speed of the download depends on the quality of your network. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/DA3F7A65-A1A6-4C12-AA68-8157ACD1B017/Intro-to-Hermes-tutorial.pdf17 Jan 2023: Material Please download the following folder and extract all files (including 2w5y.pdb). -
Structure Outline
https://www.ccdc.cam.ac.uk/media/resources/fanwick-hydrogen-atoms-disorder-restraints-modulated-structure-occupancy-squeeze.pdf17 Jan 2023: http://www.molobs.caltech.edu/smallmol/download/public/shelx%20practicals_disorder.pdf. -
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: Please download the example folder of input files. Is this an easy docking? ... You can download the “Re-refined and rebuilt structure”, 2w5y_final.pdb, from PDB-REDO for comparison. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/5DE3F364-D541-41FE-9332-CA6EF5BACAAE/SuperStar-tutorial-interaction-hotspots.pdf17 Jan 2023: Table of Contents Introduction. 2. Objectives. 2. Pre-required skills. 2. Materials. 2. Case Study. 3. Introduction. 3. Generate SuperStar Maps with the Hermes GUI. 4. Generating Propensity Maps using the Carbonyl Oxygen Probe. 4. Customising -
文件上传指南 当您准备上传 CIF 文件时请尽可能提供详细的信息并仔细检查,这对于没有具体论文阐述化合 物性质及实验细节的 CSD…
https://www.ccdc.cam.ac.uk/media/%E6%96%87%E4%BB%B6%E4%B8%8A%E4%BC%A0%E6%8C%87%E5%8D%97_guidelines_singleblock.pdf17 Jan 2023: 文件上传指南. 当您准备上传 CIF 文件时请尽可能提供详细的信息并仔细检查,这对于没有具体论文阐述化合. 物性质及实验细节的 CSD 通讯投稿尤其重要。如果您选择以 CSD -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/2F172476-D4B5-4C18-AED9-165EB29C665A/using-subsets-in-conquest.pdf17 Jan 2023: Table of Contents Introduction. 2. Objectives. 2. Pre-required skills. 2. Materials. 2. Loading subsets. 3. Restricting searches to a subset. 4. Conclusions. 5. Further Exercises. 6. Conclusions. 6. Next steps. 6. Feedback. 6. Glossary. 7. Review. -
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:. • ... confidence about key interactions. Download Input Files examples. 6. Your -
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. -
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. -
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. ... https://visualstudio.microsoft.com/downloads/). PYAPI-001. 4. Example 1: Demonstrating Input and Output. Aim. This example will focus on understanding the
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