Generation of RAMSES from a VB Representation

RAMSES is usually generated from molecular structures in a VB representation. The details of the connection table (localized charges, lone pairs, and bond orders) are kept within the model and are accessible for further processes. Bond orders are stored with the n-systems, while the number of free electrons is stored with the atoms. Upon modification oF a molecule (e.g., in systems dealing with reactions), the VB representation has to be generated in an adapted Form from the RAMSES notation. 

Conversion in both directions needs heuristic information about conjugation. It would therefore be more sensible to input molecules directly into the RAMSES notation. Ultimately, we hope that the chemist s perception of bonding will abandon the connection table representation of a single VB structure and switch to one accounting for the problems addressed in this section in a manner such as that laid down in the RAMSES model. 

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