Package: openbabel (2.4.1+dfsg-3)
Links for openbabel
Debian Resources:
Download Source Package openbabel:
- [openbabel_2.4.1+dfsg-3.dsc]
- [openbabel_2.4.1+dfsg.orig.tar.xz]
- [openbabel_2.4.1+dfsg-3.debian.tar.xz]
Maintainers:
External Resources:
- Homepage [openbabel.sourceforge.net]
Similar packages:
Chemical toolbox utilities (cli)
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 includes the following utilities:
* babel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obgen: Generate 3D coordinates for a molecule * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obconformer: Generate low-energy conformers * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode * obprobe: Create electrostatic probe grid
Other Packages Related to openbabel
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- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb
- dep: libc6 (>= 2.17) [arm64]
- dep: libc6 (>= 2.4) [armhf, i386]
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- dep: libgcc1 (>= 1:3.0) [not armhf]
- GCC support library
- dep: libgcc1 (>= 1:3.5) [armhf]
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- dep: libgomp1 (>= 4.2.1)
- GCC OpenMP (GOMP) support library
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- dep: libopenbabel5
- Chemical toolbox library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- dep: zlib1g (>= 1:1.1.4)
- compression library - runtime
Download openbabel
Architecture | Package Size | Installed Size | Files |
---|---|---|---|
amd64 | 124.6 kB | 616.0 kB | [list of files] |
arm64 | 117.5 kB | 524.0 kB | [list of files] |
armhf | 114.4 kB | 433.0 kB | [list of files] |
i386 | 125.7 kB | 601.0 kB | [list of files] |