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

images/download/attachments/1806516/ex_valence_ch.png
ex_valence_ch

images/download/attachments/1806516/no.png
no error

images/download/attachments/1806516/ex_valence_chc2.png
ex_valence_ch

images/download/attachments/1806516/ex_valence_fc2.png
ex_valence_f

images/download/attachments/1806516/ex_valence_chc.png
ex_valence_ch

images/download/attachments/1806516/no.png
not available

Detect Valence Error:
Allow traditional N representation
(:allowTraditionalNitrogen=true)

images/download/attachments/1806516/ex_valence_ch1.png
ex_valence_ch

images/download/attachments/1806516/no.png
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).