Valence Error
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Checker searches for valence errors.
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Allow traditional N representation: checking this option will allow the presence of pentavalent nitrogen. Details on valence calculation of nitrogen (:allowTraditionalNitrogen=true)
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Fixer offers removing explicit hydrogens if applicable (fixvalence).
Example :
Valence Error Checker (valenceerror) |
Warning: |
Fix |
Fix Valence (fixvalence) |
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Detect Valence Error |
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Detect Valence Error: |
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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).