Patent ID: 6073080
Filing Date: 2000-06-06
Classification: G06T

Abstract:
A computer system configured to produce molecular structural diagrams the computer system comprising:input means for accepting input of bonding atom pair data indicating the bond relation of each atom constituting a compound,storage means for storing at least said bonding atom pair data, andmolecular structural diagram producing means for producing a molecular structural diagram of said compound, based on said bonding atom pair data extracted from said storage means;wherein said molecular structural diagram producing means comprises:an atom pair data extraction process section for extracting said bonding atom pair data from said storage means,a classification process section for classifying each atom constituting said compound into either of a cyclic portion and a chain portion, based on said bonding-atom pair data extracted in said atom pair data extraction process section,a two-dimensional coordinates arithmetic process section for obtaining two-dimensional coordinates of each atom classified into said cyclic portion and/or into said chain portion in said classification process section, anda structural diagram production process section for producing a molecular structural diagram, based on said two-dimensional coordinates of each atom obtained in said two-dimensional coordinates arithmetic process section.