Valence Error

• Checker searches for valence errors.

  • Allow traditional N representation: checking this option will allow the presence of pentavalent nitrogen. Details on valence calculation of nitrogen (:allowTraditionalNitrogen=true)

• Fixer offers removing explicit hydrogens if applicable (fixvalence).

  Example :

  Valence Error Checker (valenceerror)	Warning:	Fix
  		Fix Valence (fixvalence)
  Detect Valence Error	ex_valence_ch	no error
  	ex_valence_ch	ex_valence_f
  	ex_valence_ch	not available
  Detect Valence Error: Allow traditional N representation (:allowTraditionalNitrogen=true)	ex_valence_ch	not available

  Note : Valence errors with no removable hydrogens have to be corrected manually.

  Current limitation : If an R group definition contains an S group with valence error inside, the checker reports about the problem but no fixer is applied (even if the valence error could be eliminated with H removal).