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 and setting charges 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).