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Paketbeschreibung
| Paketname | libopenbabel3 |
| Beschreibung | Chemical toolbox library |
| Archiv/Repository | Offizielles Debian Archiv squeeze (main) |
| Version | 2.2.3-1+b1 |
| Sektion | libs |
| Priorität | optional |
| Installierte Größe | 7480 Byte |
| Hängt ab von | libc6 (>= 2.3.4), libgcc1 (>= 1:4.1.1), libstdc++6 (>= 4.4.0), libxml2 (>= 2.7.4), zlib1g (>= 1:1.1. |
| Empfohlene Pakete | |
| Paketbetreuer | Debichem Team |
| Quelle | openbabel (2.2.3-1) |
| Paketgröße | 2820136 Byte |
| Prüfsumme MD5 | 70da32646dccb78bb73106abcd2f75e4 |
| Prüfsumme SHA1 | 5b6a993f18c57dd579fda4c3892b5ab092e22002 |
| Prüfsumme SHA256 | a3f604da7cf6572e6c9d466990dd2b7b082992e0612e7e918dfbbbe39d6d003d |
| Link zum Herunterladen | libopenbabel3_2.2.3-1+b1_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 shared library.
|
Impressum
Linux is a registered trademark of Linus Torvalds
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