Page tree

Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

...

As SMILES format does not support to save additional information stored in the molecule, Chemaxon ChemAxon adds a header line to the smiles file, if the export of these additional information is requested by T option.
The header files starts with the '#' character followed by the file format string "SMILES" or "SMARTS" and the field names separated by tab characters. The lines followed by the header contains the smiles/smarts string and the field data separated by tab characters.

...