(************************************************************************ *********** DEMO FOR MOLECULAR GRAPHICS *********** *********** ======== version 1.0 *********** *********** June -93 D.Nordfors *********** *********** demo version 1.1 *********** *********** e-mail: davidn@tc.pci.uni-heidelberg.de *********** ************************************************************************) < AtomicUnit, PlotLabel -> "DrawNuclei[Coordinates]"] bonds= DrawBonds[atoms, CoordinateUnit -> AtomicUnit, PlotLabel -> "DrawBonds[Coordinates]"] molecule= DrawMolecule[atoms, CoordinateUnit -> AtomicUnit, PlotLabel -> "DrawMolecule[Coordinates]"] vectors= DrawVectors[2.5 * displacementvectors,atoms, CoordinateUnit -> AtomicUnit, PlotLabel -> "DrawVectors[Vectors,Coordinates]"] normalcoordinate= DrawDistortion[atoms,2.5 * displacementvectors, CoordinateUnit -> AtomicUnit, PlotLabel -> "DrawDistortion[Coordinates,Vectors]"] (* Draw the normal coordinate without the nuclei: =================================================*) Show[{bonds,vectors},PlotLabel -> "bonds & vectors together"] (* Draw the atoms as spheres. This takes longer time! ======================================================*) DrawDistortion[atoms,2.5 * displacementvectors, AtomicShape -> Sphere, CoordinateUnit -> AtomicUnit, PlotLabel -> "DrawDistortion[Coords,Vecs,AtomicShape -> Sphere]"]