Checker searches for valence errors.
:allowTraditionalNitrogen=true
)Fixer offers removing explicit hydrogens if applicable (fixvalence
).
Example :
Valence Error Checker (valenceerror ) |
Warning: | Fix |
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Fix Valence (fixvalence ) |
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Detect Valence Error | ![]() |
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Detect Valence Error: Allow traditional N representation (:allowTraditionalNitrogen=true ) |
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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).