diff options
author | Will Andrews <will@FreeBSD.org> | 2000-06-07 16:59:47 +0000 |
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committer | Will Andrews <will@FreeBSD.org> | 2000-06-07 16:59:47 +0000 |
commit | fd97d4c549d2843926a3ba9dfea0800efac9e391 (patch) | |
tree | 675bb5ca95630c618f1ca17c9fa80fdb246e8cb2 /biology/molden/pkg-descr | |
parent | 0b6f3c90f37c97dadc471bafb9f79aa0b197bf52 (diff) |
Notes
Diffstat (limited to 'biology/molden/pkg-descr')
-rw-r--r-- | biology/molden/pkg-descr | 22 |
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 |