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12.0
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Giancarlo Dessì
2da024b26e
academic/Gabedit: Install references.
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2 jaren geleden | |
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| .. | ||
| Gabedit.SlackBuild | 2da024b26e academic/Gabedit: Install references. | 2 jaren geleden |
| Gabedit.info | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 jaren geleden |
| README | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 jaren geleden |
| References | 1899bdeef0 academic/Gabedit: Added references. | 2 jaren geleden |
| doinst.sh | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 jaren geleden |
| slack-desc | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 jaren geleden |
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.