Download and Install ConQuest CCDC: A Step-by-Step Guide
How to Download ConQuest CCDC
If you are interested in exploring the structural knowledge contained in the Cambridge Structural Database (CSD), you might want to download ConQuest CCDC, a software tool that allows you to perform advanced 3D searching of structures in the CSD. In this article, we will show you how to download, install, and use ConQuest CCDC, as well as some of its features and benefits.
What is ConQuest CCDC and what can it do?
ConQuest CCDC is a software tool that provides easy and convenient access to the wealth of structural knowledge contained in the CSD, the world's most comprehensive and up-to-date database of small molecule crystal structures. ConQuest CCDC allows users to carry out more advanced searches than WebCSD, including context and criteria matching. Search results can be seamlessly analysed by the powerful algorithms provided by the CCDC suite of software tools.
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With ConQuest CCDC, you can perform various types of searches, such as:
Chemical substructure search: Search from a 2D molecular sketch including chemical constraints such as charge, hybridization state, and cyclicity.
3D geometric searching: Quickly analyse molecular dimensions and determine conformational preferences.
Intermolecular contact searching: Explore interactions of all types and to locate pharmacophoric patterns.
Wide range of text and numeric database search options: Locate structures based on compound name, formula, elemental composition, literature reference and experimental details.
Link to proprietary data: Include your proprietary data so you get the complete picture of your system of interest.
Why would someone want to download and use it?
ConQuest CCDC is a useful tool for anyone who wants to explore the structural diversity and similarity of small molecules, as well as their properties and interactions. ConQuest CCDC can help you with various applications, such as:
End-to-end molecular design: Design novel molecules based on existing structures or scaffolds, optimize their properties and interactions, and validate their feasibility.
Search known small molecules: Find structures that match your criteria or query, compare them with your own data, and discover new insights or opportunities.
Crystallography: Validate your crystal structures, compare them with other structures in the CSD, and refine your models using the CSD data.
Pharmaceutical software: Identify potential drug candidates, optimize their binding affinity and selectivity, and predict their pharmacokinetics and toxicity.
Agrochemical software: Design new agrochemicals, optimize their activity and selectivity, and predict their environmental fate and impact.
What are the system requirements for ConQuest CCDC?
To run ConQuest CCDC, you need a computer that meets the following system requirements:
Operating SystemMinimum Requirements
WindowsWindows 10 (64-bit)
Mac OS XMac OS X 10.14 or higher (64-bit)
LinuxRHEL/CentOS 7 or higher (64-bit)
You also need at least 4 GB of RAM, 10 GB of free disk space, a monitor with a resolution of at least 1024 x 768 pixels, and an internet connection for downloading updates.
What are the licence options and how , Intermolecular Contact Search, Text and Numeric Search, or Link to Proprietary Data.
Specify the search criteria or query for your selected type of search. You can use the graphical interface or the command line interface in ConQuest CCDC. You can also combine different types of search criteria or query using logical operators.
Run the search by clicking on the Search button or pressing Enter. You will see the number of hits and the list of structures that match your search criteria or query.
Analyse the search results using the tools provided by ConQuest CCDC. You can view the structures in 2D or 3D, sort them by various parameters, filter them by different criteria, export them to other formats, or send them to other CSD software tools for further analysis.
Conclusion
In this article, we have shown you how to download, install, and use ConQuest CCDC, a software tool that allows you to perform advanced 3D searching of structures in the CSD. ConQuest CCDC is a powerful and versatile tool that can help you with various applications involving small molecule crystal structures. By using ConQuest CCDC, you can access the structural knowledge contained in the CSD, which is the world's most comprehensive and up-to-date database of small molecule crystal structures.
If you want to learn more about ConQuest CCDC and other CSD software tools, you can visit the CCDC website, where you can find more information, documentation, tutorials, and support. You can also contact the CCDC team if you have any questions or feedback.
FAQs
What is the difference between ConQuest CCDC and WebCSD?
ConQuest CCDC and WebCSD are both software tools that allow users to search structures in the CSD. However, ConQuest CCDC provides more advanced and flexible search options than WebCSD, including context and criteria matching. WebCSD is a web-based tool that provides simple and quick access to the CSD data, while ConQuest CCDC is a desktop-based tool that provides more comprehensive and detailed access to the CSD data.
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How can I update ConQuest CCDC and the CSD data?
To update ConQuest CCDC and the CSD data, you need to have an internet connection and a valid licence for the CSD software. You can check for updates by clicking on the Help menu in ConQuest CCDC and selecting Check for Updates. You will then see if there are any updates available for ConQuest CCDC or the CSD data. You can then download and install the updates by following the instructions on the screen.
How can I customize ConQuest CCDC to suit my preferences?
You can customize ConQuest CCDC to suit your preferences by changing the settings in the Preferences dialog box. You can access the Preferences dialog box by clicking on the Edit menu in ConQuest CCDC and selecting Preferences. You can then modify various settings related to appearance, behaviour, performance, and security of ConQuest CCDC.
How can I share my search results with others?
You can share your search results with others by exporting them to different formats or sending them to other CSD software tools. You can export your search results by clicking on the File menu in ConQuest CCDC and selecting Export. You can then choose from various formats such as CIF, SDF, MOL2, PDF, CSV, or HTML. You can also send your search results to other CSD software tools such as Mercury, Mogul, IsoStar, or DASH by clicking on the Tools menu in ConQuest CCDC and selecting Send To.
How can I get help with ConQuest CCDC?
You can get help with ConQuest CCDC by accessing the user guide and tutorials, visiting the CCDC website, or contacting the CCDC team. The user guide a