Alias

  • Checker searches for aliases in the structure.

  • Fixers:

    • converting alias to abbreviated group if the alias value corresponds to a group in the abbreviated group list * (aliastogroup);

    • converting alias to atom if the alias value corresponds to an element (e.g., Ar) (aliastoatom);

    • removing alias (revealing the atom under the alias) ** (removealias);

    • deleting the atom having alias information (removeatom).

Example :

Alias Checker (alias)

Warning:

Fix

Convert Alias to Group (aliastogroup)

Convert to Atom (aliastoatom)

Remove Alias (removealias)

Delete Atom (removeatom)

Detect Alias

images/download/attachments/1803788/ex_alias_ch.png
ex_alias_ch

images/download/attachments/1803788/ex_alias_fcong.png
convert ot group

images/download/attachments/1803788/ex_alias_fcona.png
convert to atom

images/download/attachments/1803788/ex_alias_frem.png
ex_alias_frem

images/download/attachments/1803788/ex_alias_fdel.png
ex_alias_fdel

"OMe" and "CL" were defined as alias. After converting "OMe" to methoxy group, the abbreviated group is linked correctly to the chain, i.e., bond through the oxygen atom.


* User defined abbreviated groups are also available to be applied as recognizable abbreviated group set.
** Alias only covers the atom, and fixer removes this alias from the original atom.