PreQuest -
Creation of In-House Databases in CSD format
PreQuest is a database building program whose primary objective is to create high
quality structural data files in a format searchable by ConQuest.
PreQuest enables users to build their own private databases of structures that
are then searchable either independently of, or in conjunction with,
the Cambridge Structural Database (CSD).
Each entry in the CSD is checked and validated using PreQuest, i.e. subjected to
a series of checking and matching routines before it becomes acceptable as a
database entry. Crystallographic connectivity can be checked against a number of
chemical criteria, and corrections made if necessary.
PreQuest features:
- A range of input file formats (CIF, SHELX, SD-files, MOL2 and BCCAB (a CCDC file format))
- Automatic generation of a 2D chemical diagram from the 3D connectivity information
- Modification of textual and numeric information using a text editor of the user's choice
or interactively via the GUI
- 2D chemical diagram editor
- Viewing and editing of 3D structural information
- Export of corrected entries in the CSD format (ASER) to form individual private
databases
For further information about obtaining the CSD System contact CCDC.
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