Pseudo Atom
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Checker searches for pseudo atoms in the molecule. A list of excluded atom labels can be specified, the checker will not find (and fix) pseudo atoms with labels that are indicated in this list.
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Fixer offers:
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converting to abbreviated group if the name is in the abbreviated group list (e.g., Et for ethyl) * (pseudotogroup);
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converting to carbon atom (converttocarbon);
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deleting atom (removeatom).
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Example :
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Pseudo Atom Checker (pseudoatom) |
Warning: |
Fix |
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Convert Pseudo Atom to Group (pseudotogroup) |
Convert to Carbon (converttocarbon) |
Delete Atom (removeatom) |
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Detect Pseudo Atom |
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Detect Pseudo Atom |
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Detect Pseudo Atom with excluded list (pseudoatom:excluded='PG') |
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* Note : User defined abbreviated groups are also available to be applied as recognizable abbreviated group set.