[ etiona ]
[ Bron: openbabel ]
Pakket: python-openbabel (2.3.2+dfsg-3build1)
Verwijzigingen voor python-openbabel
Trisquel bronnen:
Het bronpakket openbabel downloaden:
- [openbabel_2.3.2+dfsg-3build1.dsc]
- [openbabel_2.3.2+dfsg.orig.tar.gz]
- [openbabel_2.3.2+dfsg-3build1.debian.tar.xz]
Beheerder:
Original Maintainers:
- Debichem Team (Mailarchief)
- Michael Banck
- Daniel Leidert
Externe bronnen:
- Homepage [openbabel.sourceforge.net]
Vergelijkbare pakketten:
Chemical toolbox library (python bindings)
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one 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.
Andere aan python-openbabel gerelateerde pakketten
|
|
|
-
- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
Ook een virtueel pakket geboden door: libc6-udeb
- dep: libc6 (>= 2.4) [i386]
-
- dep: libgcc1 (>= 1:3.4)
- GCC support library
-
- dep: libopenbabel4v5
- Chemical toolbox library
-
- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
-
- dep: python
- interactive high-level object-oriented language (default version)
- dep: python (<< 2.8)
- dep: python (>= 2.7)