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CTfile Formats

Accelrys' published file formats for chemical structures, reactions, and data are widely used in the chemical software industry. In order to encourage the free exchange of chemical structures and related information, Accelrys has published many of the file formats we use for communicating chemical structures, reactions, and data (see Arthur Dalby et al., J. Chem. Inf. Comput. Sci, 1992, 32, 244-255).

The CTfile Formats document fully describes the formats for CTfiles (chemical table files). The Accelrys CTfile formats are: Molfiles, RGfiles, Rxnfiles, SDfiles, RDfiles, XDfiles, and Clipboard.

Also included in this download:

  • XML Document Type Definition (DTD) for the XDfile format
  • XML Schema for the XDfile format

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