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freebsd-ports/biology/molden/pkg-descr
Dmitry Marakasov 1d1f878054 - Fix trailing whitespace in pkg-descrs, categories [a-f]*
Approved by:	portmgr blanket
2016-05-19 10:21:23 +00:00

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Visualizing the results of molecular orbital calculations
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.
By the distribution policy of the author;
* Only the latest version is supplied.
* Users must get the `distfiles' from the original site.
* Do not re-distribute the source and the executable.
* Using a not-so-latest version is prohibited, because
the author may only respond about the latest version.
WWW: http://www.cmbi.ru.nl/molden/