Structure representation

On this page you will find descriptions and code examples for structure representation from the developer's point of view.

• Structure Representation
  • MolAtom
  • MolBond
  • Molecule Graph
  • R-group structures
  • S-groups
  • Representation of reactions
  • Examples for Molecule representation
• Aromaticity
  • Converting structure from Kekulé form to aromatic form
  • Differencies between the basic and general method
  • Converting structure from aromatic form to Kekulé form
• Implicit, Explicit and Query Hydrogens
  • Converting implicit Hydrogens to explicit
  • Converting explicit Hydrogens to implicit
  • Query Hydrogens
• Stereochemistry
  • Introduction to Stereochemistry
  • CIPStereoChemistry
  • Stereoisomers around double bond
  • Parity
  • Chirality
• Relative configuration of tetrahedral stereo centers
• Iterator Factory
• Atom and bond-set handling
• Graphic Object handling
• Code Examples