Alias
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Checker searches for aliases in the structure.
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Fixers:
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converting alias to abbreviated group if the alias value corresponds to a group in the abbreviated group list * (aliastogroup);
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converting alias to atom if the alias value corresponds to an element (e.g., Ar) (aliastoatom);
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removing alias (revealing the atom under the alias) ** (removealias);
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deleting the atom having alias information (removeatom).
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Example :
Alias Checker (alias) |
Warning: |
Fix |
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Convert Alias to Group (aliastogroup) |
Convert to Atom (aliastoatom) |
Remove Alias (removealias) |
Delete Atom (removeatom) |
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Detect Alias |
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"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.