Data processing: structural design – modeling – simulation – and em – Simulating nonelectrical device or system – Chemical
Reexamination Certificate
2011-03-22
2011-03-22
Jones, Hugh (Department: 2128)
Data processing: structural design, modeling, simulation, and em
Simulating nonelectrical device or system
Chemical
C703S002000
Reexamination Certificate
active
07912689
ABSTRACT:
A method and a system are provided for enhancing structure diagram generation (“SDG”). In SDG, aesthetic two-dimensional (“2-D”) coordinates for use in a diagrammatic representation (“diagram”) of a molecule are derived from a connection table for the molecule. SDG may also improve the aesthetic qualities of a chemical structure diagram having existing coordinates, if available. SDG is enhanced by expressing the symmetry present in the molecule, by making use of symmetry in the 2-D dynamics used to lay out rings and chains, by construction of bridges using an open polygon method together with a potential function, and by an elegant approach to the relative positioning of molecules (“free rectangle method”).
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Cambridgesoft Corporation
Jones Hugh
Wilmer Cutler Pickering Hale & Dorr LLP.
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