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PreQuest

Build databases of in-house or propietary crystal structures that can be searched independently of or in conjunction with the CSD.

 

PreQuest enables you to build high quality databases of in-house, or proprietary structures that are then searchable either independently of, or in conjunction with, the Cambridge Structural Database (CSD).

Structures processed with PreQuest are subjected to a series of checking and matching routines that include stringent validation of textual, numerical, 2D diagram and 3D connectivity. The use of coloured error flags highlight problems in an input CIF and provide a guide to the seriousness of the error.

Bibliographic and chemical data items are extracted by default and can be supplemented with additional information such as synonym, crystal colour, morphology and melting point. PreQuest also enables you to enhance your 3D structural data with a 2D diagram automatically generated from the 3D connectivity information. Use structure editing tools to get your 2D and 3D structures just as you want them (e.g. representing C6H5 as “Ph” in a 2D diagram or suppressing disordered atom sites of least occupancy).

Corrected entries can then be exported in the CSD format (ASER) to form individual private databases that are then fully searchable alongside the CSD.  
  

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