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  • Checker searches for abbreviated groups in the structure *
  • Options:
    • expanded (:expanded=true);
    • contracted (:contracted=true);
    • both expanded and contracted groups (default).
  • You can specify a list of excluded abbreviated groups, i.e., checker will not find (and fix) abbreviated groups that are indicated in this list. Default and custom abbreviations are also possible to set. The excluded list elements are case sensitive and should be separated by commas (,). (:excluded=Ph,Ala,Gly,MyGroup
    excluded list
  • Fixer offers(in order of priority):
    • ungroup abbreviated groups (ungroup);
    • expand abbreviated groups (expandgroup);
    • contract abbreviated groups (contractgroup).

Example :

Abbreviated Group Checker (abbrevgroup)Warning:Fix
Ungroup (ungroup)Expand Group (expandgroup)Contract Group (contractgroup)
Detect Expanded Groupsex_abbrev_exp_chex_abbrev_contr_funavailableex_abbrev_contr_f
Detect Contracted Groupsex_abbrev_contr_fex_abbrev_contr_fex_abbrev_contr_funavailable
Detect All Groupsex_abbrev_both_chex_abbrev_both_fex_abbrev_both_fexex_abbrev_both_fcontr
Detect Contracted Groups with excluded listex_abbrev_exclude_chex_abbrev_exclude_fex_abbrev_exclude_fex_abbrev_both_fcontr

*   User defined abbreviated groups  are also available to be applied as recognizable abbreviated group set.

If attachment point is not connected to any atom, ungrouping removes attachment points of the abbreviated group and adds an implicit hydrogen.