CDX (.cdx)

Background & Context

    • MIME type: chemical/x-cdxChemDraw Exchange format.
    • Used by CambridgeSoft Corporation's ChemDraw application to store molecular data.
    • Binary format.
    • Stores two-dimensional atomic coordinates, chemical bond information and metadata.

Import

  • Import["file.cdx"] imports a CDX file as a molecule.
  • Two-dimensional coordinates from the CDX file are stored in the molecule in the AtomDiagramCoordinates option value.
  • Use mol["AtomDiagramCoordinates"] to retrieve the coordinates from the imported molecule mol.
  • See the reference pages for full general information on Import.
  • ImportString supports the CDX format.

Examples

Basic Examples  (2)

Import a CDX file as a molecule:

Show the molecule in a 2D structure diagram:

Coordinate and stereo information read in from the file are stored in the AtomDiagramCoordinates and StereochemistryElements option values:

Import a model of a symmetric triglyceride from a CDX file:

Show the molecule in a 2D structure diagram: