If you want to re-build with your own customization, define `DONOTUSE_ORIGINALBINARY', such as: % make DONOTUSE_ORIGINALBINARY=yes Visualizing the results of molecular orbital calculations MO program: gaussian, gamess, mopac display molecule in 3D: geo-opt, single-point, nomal mode ... animation density: contour plot, 3D view electron density, MO coefficient Everything what you want about MO calculation can be seen. WWW: http://www.caos.kun.nl/~schaft/molden/molden.html -- rmiya