Class CDXReader

All Implemented Interfaces:
GenericLineReader, CDXMLParser.CDXReaderI

public class CDXReader extends XmlCdxReader
A reader for ChemDraw binary CDX files. See https://iupac.github.io/IUPAC-FAIRSpec/cdx_sdk formerly https://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/ CambridgeSoft did a fabulous job on the specification. This reader extends CDXMLWriter. It simply passes the CDX binary to CDXMLWriter, which returns the XML. The XML is then passed through the CDX files on the fly to CDXML and then processes those using the XMLChemDrawReader. Note that CDXMLWriter.fromCDX(), though public, is not exposed generally, as it is only a skeleton class intended to do just enough to be able to run the structure through SMILES, InChI and 2D or 3D MOL generation. Generic Nicknames (e.g. "R" and "X") will become "Xx" -- unknown atom. Multiple Attachments will become 0.5 partial bonds.
Version:
1.0
Author:
Bob Hanson