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Gabedit is a Graphical User Interface to GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, (Orca ) and Q-Chem computational chemistry packages. == Major features == * builds molecules by atom, ring, group, amino acid and nucleoside. * Creates input file for GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, (OpenMopac ), PC GAMESS, (Orca ) and Q-Chem. * Reads output from the ab initio packages GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, (OpenMopac ), PC GAMESS, (Orca ) and Q-Chem, and supports a number of other formats. * Displays molecular orbitals or electron density as contour plots or 3D grid plots and output to a number of graphical formats. * Animates molecular vibrations, contours, isosurfaces and rotation. 抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「Gabedit」の詳細全文を読む スポンサード リンク
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