Structure Checker : Valence Error

  • Checker searches for valence errors.
  • 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).