openbabel_2.3.0+dfsg-3ubuntu3_amd64.deb


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Description

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 archive.ubuntu.com
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
*

Alternatives

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

Requires

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

Download

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

Files

Path
/usr/bin/babel
/usr/bin/obabel
/usr/bin/obchiral
/usr/bin/obconformer
/usr/bin/obenergy
/usr/bin/obfit
/usr/bin/obgen
/usr/bin/obgrep
/usr/bin/obminimize
/usr/bin/obprobe
/usr/bin/obprop
/usr/bin/obrotamer
/usr/bin/obrotate
/usr/bin/obspectrophore
/usr/bin/roundtrip
/usr/share/doc/openbabel/FAQ.html
/usr/share/doc/openbabel/README.dioxin.pov
/usr/share/doc/openbabel/README.povray.gz
/usr/share/doc/openbabel/TODO.Debian
/usr/share/doc/openbabel/changelog.Debian.gz
/usr/share/doc/openbabel/copyright
/usr/share/doc/openbabel/examples/dioxin.mol2
/usr/share/man/man1/babel.1.gz
/usr/share/man/man1/obabel.1.gz
/usr/share/man/man1/obchiral.1.gz
/usr/share/man/man1/obconformer.1.gz
/usr/share/man/man1/obenergy.1.gz
/usr/share/man/man1/obfit.1.gz
/usr/share/man/man1/obgen.1.gz
/usr/share/man/man1/obgrep.1.gz
/usr/share/man/man1/obminimize.1.gz
/usr/share/man/man1/obprobe.1.gz
/usr/share/man/man1/obprop.1.gz
/usr/share/man/man1/obrotamer.1.gz
/usr/share/man/man1/obrotate.1.gz
/usr/share/man/man1/roundtrip.1.gz
/usr/share/povray/include/babel_povray3.inc

See Also

Package Description
openbmap-logger_0.4.0-6_all.deb gsm/gps-data logger for the openBmap project
openbox-dev_3.5.0-2ubuntu2_amd64.deb development files for the openbox window manager
openbox-themes_1.0.2_all.deb Themes for the Openbox window manager
openbox-xdgmenu_0.3-0ubuntu2_amd64.deb Xdg menu for OpenBox
openbox_3.5.0-2ubuntu2_amd64.deb standards compliant, fast, light-weight, extensible window manager
openbve-data_1.4.0.5+dfsg-3_all.deb realistic 3D train/railway simulator (GUI icons and data)
openbve_1.4.0.9-1_all.deb realistic 3D train/railway simulator (main program)
opencascade-draw_6.5.0.dfsg-2build1_amd64.deb OpenCASCADE CAE platform shared library
opencascade-examples_6.5.0.dfsg-2build1_all.deb OpenCASCADE CAE platform library input examples
opencc_0.3.0-1_amd64.deb simplified-traditional chinese conversion tool
openchangeclient_1.0-1_amd64.deb Command-line client for the MAPI (Exchange/Outlook) protocol
openchangeproxy_1.0-1_amd64.deb Experimental MAPI (Exchange/Outlook) proxy
openchangeserver-dev_1.0-1_amd64.deb Experimental MAPI (Exchange/Outlook) server - development files
openchangeserver_1.0-1_amd64.deb Experimental MAPI (Exchange/Outlook) server
opencity-data_0.0.6.4stable-1_all.deb data for opencity, a 3D city simulator game
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