Structure searching in CAS Online using STN Express:
An introductory workshop

Building structures: System defaults

  • Build the basic structure
  • What you draw is what you get
  • Need to override system defaults so that what you see is what you want
  • Block substitution to get more specific structures
    • Add hydrogens
    • Specify bond values
    • Use refinement filters
  • Increase variability to get more generic structures
    • System-defined variables
    • Variable point of attachment
    • G-groups
    • Bonds