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Paketbeschreibung
| Paketname | python-openbabel |
| Beschreibung | Chemical toolbox library (python bindings) |
| Archiv/Repository | Offizielles Debian Archiv squeeze (main) |
| Version | 2.2.3-1+b1 |
| Sektion | python |
| Priorität | optional |
| Installierte Größe | 4556 Byte |
| Hängt ab von | libc6 (>= 2.3.6-6~), libgcc1 (>= 1:4.1.1), libopenbabel3, libstdc++6 (>= 4.4.0), python (<< 2.7), py |
| Empfohlene Pakete | |
| Paketbetreuer | Debichem Team |
| Quelle | openbabel (2.2.3-1) |
| Paketgröße | 1103180 Byte |
| Prüfsumme MD5 | 8cf95265ef0386208ad6a537a2a4017b |
| Prüfsumme SHA1 | 95ff827304f5ae6582ba6b5a03468ed3023bdb52 |
| Prüfsumme SHA256 | 010e53938a67edeb70c83fd9397c1fe05ea08411bb20c2a77191291079291b24 |
| Link zum Herunterladen | python-openbabel_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 Python binding.
|
Impressum
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