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 | ex_alias_ch | convert ot group | convert to atom | ex_alias_frem | ex_alias_fdel |
{primary} "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.
{info} Alias atoms are not supported in the MolV3000 format. With file conversions from MolV2000 into MolV3000 format the alias info will be lost.