Abbreviated Group StrCh

    • 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)

      images/download/attachments/1803798/ex_abbrev_excluded01.png

      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 Groups images/download/attachments/1803798/ex_abbrev_exp_ch.png ex_abbrev_exp_ch images/download/attachments/1803798/ex_abbrev_exp_f.png ex_abbrev_contr_f images/download/attachments/1803798/no.png unavailable images/download/attachments/1803798/ex_abbrev_exp_fcont.png ex_abbrev_contr_f
      Detect Contracted Groups images/download/attachments/1803798/ex_abbrev_contr_ch.png ex_abbrev_contr_f images/download/attachments/1803798/ex_abbrev_contr_f.png ex_abbrev_contr_f images/download/attachments/1803798/ex_abbrev_contr_fex.png ex_abbrev_contr_f images/download/attachments/1803798/no.png unavailable
      Detect All Groups images/download/attachments/1803798/ex_abbrev_both_ch.png ex_abbrev_both_ch images/download/attachments/1803798/ex_abbrev_both_f.png ex_abbrev_both_f images/download/attachments/1803798/ex_abbrev_both_fex.png ex_abbrev_both_fex images/download/attachments/1803798/ex_abbrev_both_fcont.png ex_abbrev_both_fcontr
      Detect Contracted Groups with excluded list images/download/attachments/1803798/ex_abbrev_excluded02_ex.png ex_abbrev_exclude_ch images/download/attachments/1803798/ex_abbrev_excluded02_fung.png ex_abbrev_exclude_f images/download/attachments/1803798/ex_abbrev_excluded02_fex.png ex_abbrev_exclude_f images/download/attachments/1803798/no.png ex_abbrev_both_fcontr

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

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