- Checker searches for explicit hydrogens.
The following different types of explicit hydrogens can be searched:- Lonely: hydrogen atom without connection (
:lonely=true) - Isotopic: hydrogen isotopes (
:isotopic=true) - Charged: charged hydrogen atoms (
:charged=true) - Radical: hydrogen radicals (
:radical=true) - Mapped: mapped hydrogens (
:mapped=true) - Wedged: hydrogen connecting with wedged bond (
:wedged=true) - H Connected: hydrogen connected to a hydrogen atom (
:hconnected=true) - Polymer End Group: hydrogen connected to a SRU S-group (
:polymerendgroup=true) - S-group End: hydrogen connected to a Superatom S-group (
:sgroupend=true) - S-group: hydrogen which is the only atom in an S-group (
:sgroup=true) - Valence Error: hydrogen connected to an atom which has valence error (
:valenceerror=true) - Bridgehead: hydrogen connected to a bridgehead atom (
:bridgehead=true)
- Lonely: hydrogen atom without connection (
This picture summarizes the applied categorizations:
- The corresponding fixer offers removing explicit hydrogens and the selected special atoms (
removeexplicith).
Example :
Explicit Hydrogen Checker (explicith) |
Warning: | Fix |
|---|---|---|
Remove Explicit Hydrogen (removeexplicith) |
||
| Detect Explicit Hydrogen |


