Aborescence:
cc72a3d5d8
11.0
12.0
12.1
12.2
13.0
13.1
13.37
14.0
14.1
14.2
15.0
bedlam
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Giancarlo Dessì
4754d8ddf2
academic/Gabedit: Added (Graphical UI to computational chemistry)
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il y a 2 ans | |
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| Gabedit.SlackBuild | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | il y a 2 ans |
| Gabedit.info | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | il y a 2 ans |
| README | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | il y a 2 ans |
| doinst.sh | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | il y a 2 ans |
| slack-desc | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | il y a 2 ans |
README
Gabedit is a graphical user interface to computational chemistry
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, Orca, PCGamess and Q-Chem.
It can display a variety of calculation results including support for
most major molecular file formats. The advanced "Molecule Builder"
allows to rapidly sketch in molecules and examine them in 3D. Graphics
can be exported to various formats, including animations.
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, Orca, PCGamess and Q-Chem.
It can display a variety of calculation results including support for
most major molecular file formats. The advanced "Molecule Builder"
allows to rapidly sketch in molecules and examine them in 3D. Graphics
can be exported to various formats, including animations.