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authorWill Andrews <will@FreeBSD.org>2000-06-07 16:59:47 +0000
committerWill Andrews <will@FreeBSD.org>2000-06-07 16:59:47 +0000
commitfd97d4c549d2843926a3ba9dfea0800efac9e391 (patch)
tree675bb5ca95630c618f1ca17c9fa80fdb246e8cb2 /biology/molden/pkg-descr
parent0b6f3c90f37c97dadc471bafb9f79aa0b197bf52 (diff)
Notes
Diffstat (limited to 'biology/molden/pkg-descr')
-rw-r--r--biology/molden/pkg-descr22
1 files changed, 12 insertions, 10 deletions
diff --git a/biology/molden/pkg-descr b/biology/molden/pkg-descr
index 2eabe40f9e9f..4c46dd9c8cb0 100644
--- a/biology/molden/pkg-descr
+++ b/biology/molden/pkg-descr
@@ -1,17 +1,19 @@
-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
-
+ 1) MO program: gaussian, gamess, mopac, etc.
+ 2) display molecule in 3D: geo-opt, single-point, nomal mode (animation)
+ 3) density: contour plot or 3D view for electron density and MO coefficient
Everything what you want about MO calculation can be seen.
WWW: http://www.caos.kun.nl/~schaft/molden/molden.html
+You must set the environmental variable ether ORIGINALBINARY=yes or
+MYBINARY=yes. The latter will be used for building up your own binary,
+which is specially customized.
+web site, shown above.
+
+Acknowledgement: Porting to 4.0-CURRENT (__FreeBSD_version == 400005)
+and later versions have been assisted greatly by Glenn Johnson
+<gjohnson@nola.srrc.usda.gov>, thanks a lot !
+
--
rmiya