Convert to Enhanced Stereo

This action enables the user to convert the molecule to enhanced stereo representation. It will add enhanced stereo flag to set (R,S) stereogenic centers without any set enhanced stereo flag. The type of enhanced stereo flag to be added can be "abs", "and", or "or". Read more about enhanced stereo representation.

• Force every unlabelled stereogenic center into absolute stereo: MDL chiral flag will be ignored, every unlabeled stereogenic center will be labeled as ABS if their configuration is unambiguous
• Force every unlabelled stereogenic center into absolute stereo when no enhanced stereo label was present on the molecule previously, force them into a new AND group otherwise: Similar to the first option with the exception that if the input molecule already contains any enhanced stereo label, then remaining, unlabelled stereocenters will be added to a new AND group
• Stereogenic centers without enhanced stereo flag go into a new OR group when chiral flag is missing (converttoenhancedstereo:or);

• Stereogenic centers without enhanced stereo flag go into a new AND group when chiral flag is missing (converttoenhancedstereo:and);

  Example :

  Action	Input	Output
  Convert to Enhanced Stereo (converttoenhancedstereo:absstereo=true)
  Convert to Enhanced Stereo (converttoenhancedstereo:enforceabsstereo=true)
  Convert to Enhanced Stereo (converttoenhancedstereo:or)
  Convert to Enhanced Stereo (converttoenhancedstereo:and)