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Paketbeschreibung
| Paketname | python-openbabel |
| Beschreibung | Chemical toolbox library (python bindings) |
| Archiv/Repository | Offizielles Ubuntu Archiv lucid (universe) |
| Version | 2.2.3-1build1 |
| Sektion | universe/python |
| Priorität | optional |
| Installierte Größe | 2540 Byte |
| Hängt ab von | libc6 (>= 2.4), libgcc1 (>= 1:4.1.1), libopenbabel3, libstdc++6 (>= 4.4.0), python (<< 2.7), python |
| Empfohlene Pakete | |
| Paketbetreuer | Ubuntu Developers |
| Quelle | openbabel |
| Paketgröße | 590388 Byte |
| Prüfsumme MD5 | 8799180df4df1058f5fe12d1bb5f5483 |
| Prüfsumme SHA1 | 50177f9b65d96319ad008db7910f47e45f74cefd |
| Prüfsumme SHA256 | d03701a6a6b92b829f25d781322f467e0d80a850d0dbc2482fce7a11a533e39a |
| Link zum Herunterladen | python-openbabel_2.2.3-1build1_i386.deb |
| Ausführliche Beschreibung | Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It allows to search, convert, analyze, or store data from
molecular modeling, chemistry, solid-state materials, biochemistry, or related
areas. Features include:
.
* Hydrogen addition and deletion
* Support for Molecular Mechanics
* Support for SMARTS molecular matching syntax
* Automatic feature perception (rings, bonds, hybridization, aromaticity)
* Flexible atom typer and perception of multiple bonds from atomic coordinates
* Gasteiger-Marsili partial charge calculation
.
File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
.
This package contains the Python binding.
|
Impressum
Linux is a registered trademark of Linus Torvalds
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