- 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).




