Pseudo Atom

    • 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.

    • Fixer offers:

      1. converting to abbreviated group if the name is in the abbreviated group list (e.g., Et for ethyl) * (pseudotogroup);

      2. converting to carbon atom (converttocarbon);

      3. deleting atom (removeatom).

      Example :

      Pseudo Atom Checker (pseudoatom) Warning: Fix
      Convert Pseudo Atom to Group (pseudotogroup) Convert to Carbon (converttocarbon) Delete Atom (removeatom)
      Detect Pseudo Atom images/download/attachments/1806475/ex_pseudo_ch.png ex_pseudo_ch images/download/attachments/1806475/no.png not available images/download/attachments/1806475/ex_pseudo_f.png ex_pseudo_f images/download/attachments/1806475/ex_pseudo_fdel.png ex_pseudo_f
      Detect Pseudo Atom images/download/attachments/1806475/ex_pseudo_ch2.png ex_pseudo_ch images/download/attachments/1806475/ex_pseudo_fgroup.png ex_pseudo_f images/download/attachments/1806475/ex_pseudo_fconv.png ex_pseudo_f images/download/attachments/1806475/ex_pseudo_fdel2.png ex_pseudo_f
      Detect Pseudo Atom with excluded list(pseudoatom:excluded='PG') images/download/attachments/1806475/pseudo_atom_checker_excluded.png images/download/attachments/1806475/pseudo_atom_checker_excluded_fix_pseudotogroup.png images/download/attachments/1806475/pseudo_atom_checker_excluded_fix_converttocarbon.png images/download/attachments/1806475/pseudo_atom_checker_excluded_fix_removeatom.png

    * Note : User defined abbreviated groupsare also available to be applied as recognizable abbreviated group set.