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