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Molecular mechanics three-dimensional Cartesian coordinates

A descriptor for the three-dimensional arrangement of a molecule can be derived from the Cartesian coordinates of the atoms. Reliable coordinates can be calculated quite easily by semiempirical or molecular mechanics (i.e., force-field) methods by using molecular modeling software. Fast 3D structure generators are available that combine rules and force-field methods to calculate Cartesian coordinates from the connection table of a molecule (e.g., CORINA [33]). [Pg.76]

See other pages where Molecular mechanics three-dimensional Cartesian coordinates is mentioned: [Pg.723]    [Pg.1914]    [Pg.46]    [Pg.160]    [Pg.46]    [Pg.44]    [Pg.96]    [Pg.32]    [Pg.66]    [Pg.3295]   
See also in sourсe #XX -- [ Pg.723 ]



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