openbabel - Chemical toolbox utilities (cli)

Property Value
Distribution Ubuntu 12.04 LTS (Precise Pangolin)
Repository Ubuntu Universe amd64
Package name openbabel
Package version 2.3.0+dfsg
Package release 3ubuntu3
Package architecture amd64
Package type deb
Installed size 430 B
Download size 120.82 KB
Official Mirror
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 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
* obprop: Print standard molecular properties
* obfit: Superimpose two molecules based on a pattern
* obrotamer: Generate conformer/rotamer coordinates
* obchiral: Print molecular chirality information
* obrotate: Rotate dihedral angle of molecules in batch mode


Package Version Architecture Repository
openbabel_2.3.0+dfsg-3ubuntu3_i386.deb 2.3.0+dfsg i386 Ubuntu Universe
openbabel - - -


Name Value
libc6 >= 2.4
libgcc1 >= 1:4.1.1
libopenbabel4 -
libstdc++6 >= 4.4.0


Type URL
Binary Package openbabel_2.3.0+dfsg-3ubuntu3_amd64.deb
Source Package openbabel

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install openbabel deb package:
    # sudo apt-get install openbabel



See Also

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