Physical property value calculation method, property value calculation device, image creating apparatus and computer program

摘要

PPROBLEM TO BE SOLVED: To provide a physical property value calculation method, a physical property value calculation device, an image creation device, a computer program and a recording medium that support the design of a molecule such as a monomer constituting a polymer. PSOLUTION: The method receives the designation of pluralities of arbitrary united atoms in a plurality of atoms constituting a molecule, forms an image where the pluralities of designated atoms each form one coarse-grained unit, outputs the formed image, and calculates physical property values of bonding such as bond, angle or torsion among the designated coarse-grained units. PCOPYRIGHT: (C)2005,JPO&NCIPI