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ConQuest

ConQuest provides advanced 3D searching of structures in the Cambridge Structural Database.

 

ConQuest is the primary program for searching and retrieving information from the Cambridge Structural Database (CSD). Local in-house databases generated using PreQuest can also be searched alongside the CSD using ConQuest.

ConQuest provides an extensive range of flexible search options enabling you to discover the knowledge contained within more than 600,000 crystal structures. These include:

  • A full range of text and numeric database search options allowing you to locate structures based on compound name, formula, elemental composition, literature reference and experimental details.
  • Chemical substructure searching including the ability to define chemical constrains such as charge, hybridization state and cyclicity.  
  • 3D geometric searching enabling you to quickly analyse molecular dimensions and determine conformational preferences.  
  • Intermolecular and nonbonded contact searching allowing you to explore interactions of all types and to locate pharmacophoric patterns.

 

The ConQuest draw window is used for sketching chemical substructures and defining geometrical parameters ​ The ConQuest results viewer allows interactive browsing of hit structures while searches are still running​
 

 

ConQuest also provides:

  • An intuitive sketcher for drawing chemical substructures and defining geometrical parameters.
  • Secondary search filters that can be used to restrict the output of searches to, e.g., error-free, non-disordered structures.
  • A simple mechanism for combining individual queries to generate complex searches.
  • Clear 3D visualisation of hit structures with direct links to the primary literature.
  • An extensive range of structure export options and direct links to Mercury for the interactive visualisation and analysis of CSD search data.
  • Comprehensive hitlist management options that allow search results to be combined, intersected and annotated. 
  • A command line interface for the batch processing of CSD searches

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