From eb0c4e15526b319f5f2dc2c7b86530e13290f021 Mon Sep 17 00:00:00 2001 From: Satoshi Taoka Date: Fri, 7 May 1999 06:57:52 +0000 Subject: display molecular orbitals and electron densities in 2D and 3D Submitted by: rmiya@cc.hirosaki-u.ac.jp (Ryo MIYAMOTO) --- biology/molden/pkg-descr | 18 ++++++++++++++++++ 1 file changed, 18 insertions(+) create mode 100644 biology/molden/pkg-descr (limited to 'biology/molden/pkg-descr') diff --git a/biology/molden/pkg-descr b/biology/molden/pkg-descr new file mode 100644 index 000000000000..0335dd68510d --- /dev/null +++ b/biology/molden/pkg-descr @@ -0,0 +1,18 @@ +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. + +Please check out, for more detail, the following web site. + http://www.caos.kun.nl/~schaft/molden/molden.html + +-- +rmiya -- cgit v1.2.3