Abbreviated Group StrCh
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Checker searches for abbreviated groups in the structure *
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Options:
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expanded (:expanded=true);
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contracted (:contracted=true);
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both expanded and contracted groups (default).
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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)
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Fixer offers(in order of priority):
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ungroup abbreviated groups (ungroup);
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expand abbreviated groups (expandgroup);
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contract abbreviated groups (contractgroup).
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Example :
Abbreviated Group Checker (abbrevgroup) |
Warning: |
Fix |
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Ungroup (ungroup) |
Expand Group (expandgroup) |
Contract Group (contractgroup) |
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Detect Expanded Groups |
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Detect Contracted Groups |
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Detect All Groups |
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Detect Contracted Groups with excluded list |
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* 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.