Class CDXMLParser

A reader for CambridgeSoft CDXML files. For the full specification of CDX/CDXML, see https://iupac.github.io/IUPAC-FAIRSpec revvity site: https://support.revvitysignals.com/hc/en-us/articles/4408233129748-Where-is-the-ChemDraw-SDK-located Their link: https://web.archive.org/web/20221209095323/https://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/ WayBack machine Overview: https://web.archive.org/web/20240000000000* /https://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx Partial archives: https://web.archive.org/web/20160911235313/http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/index.htm https://web.archive.org/web/20160310081515/http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/ https://web.archive.org/web/20100503174209/http://www.cambridgesoft.com/services/documentation/sdk/chemdraw/cdx/ Unfortunately, there appears to be no single archive that has all the images, and so some of those are missing. for the full, detailed specification. Here we are just looking for simple aspects that could be converted to valid 2D MOL files, SMILES, and InChI. Fragments (such as CH2CH2OH) and "Nickname"-type fragments such as Ac and Ph, are processed correctly. But their 2D representations are pretty nuts. ChemDraw does not make any attempt to place these in reasonable locations. That said, Jmol's 3D minimization does a pretty fair job, and the default is to do that minimization. If minimization and addition of H is not desired, use FILTER "NOH" or FILTER "NO3D" XmlChemDrawReader also serves as the reader for binary CDX files, as CDXReader subclasses this class. See that class for details.