openbabel_2.3.2+dfsg-3build1_i386.deb


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Description

openbabel - Chemical toolbox utilities (cli)

Property Value
Distribution Ubuntu 17.10 (Artful Aardvark)
Repository Ubuntu Universe i386
Package name openbabel
Package version 2.3.2+dfsg
Package release 3build1
Package architecture i386
Package type deb
Installed size 430 B
Download size 99.81 KB
Official Mirror archive.ubuntu.com
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

Alternatives

Package Version Architecture Repository
openbabel_2.3.2+dfsg-3build1_amd64.deb 2.3.2+dfsg amd64 Ubuntu Universe
openbabel - - -

Requires

Name Value
libc6 >= 2.4
libgcc1 >= 1:3.0
libopenbabel4v5 -
libstdc++6 >= 5.2

Download

Type URL
Binary Package openbabel_2.3.2+dfsg-3build1_i386.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/obrms
/usr/bin/obrotamer
/usr/bin/obrotate
/usr/bin/obspectrophore
/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/obspectrophore.1.gz
/usr/share/povray/include/babel_povray3.inc

Changelog

2017-07-26 - Matthias Klose <doko@ubuntu.com>
openbabel (2.3.2+dfsg-3build1) artful; urgency=medium
* No-change rebuild for perl 5.26.0.
2017-06-04 - Michael Banck <mbanck@debian.org>
openbabel (2.3.2+dfsg-3) unstable; urgency=high
* Acknowledge NMUs.
* debian/patches/862517_initialise.patch: New patch, fixes an initialisation
error, taken from upstream commit 45abc715, thanks to Stuart Prescott
(Closes: #862517).
2016-09-18 - gregor herrmann <gregoa@debian.org>
openbabel (2.3.2+dfsg-2.4) unstable; urgency=medium
* Non-maintainer upload.
* Fix "FTBFS in testing": build with -std=gnu++98.
(Closes: #834249)
2016-08-02 - Matthias Klose <doko@debian.org>
openbabel (2.3.2+dfsg-2.3) unstable; urgency=medium
* Non-maintainer upload.
* "Fix" GCC version check up to GCC 9. Closes: #812259.
2015-08-31 - Simon McVittie <smcv@debian.org>
openbabel (2.3.2+dfsg-2.2) unstable; urgency=medium
* Non-maintainer upload.
* Apply Ubuntu patch for the libstdc++ transition (Closes: #796854)
[ Matthias Klose ]
* Rename libopenbabel4 to libopenbabel4v5, follow-up transition
to the libstdc++6 transition.
* Add Conflict/Replaces to the old library.
2015-07-10 - Matthias Klose <doko@debian.org>
openbabel (2.3.2+dfsg-2.1) unstable; urgency=medium
* Non maintainer upload.
* Fix building with GCC 5. Closes: #778044.
2014-09-20 - Michael Banck <mbanck@debian.org>
openbabel (2.3.2+dfsg-2) unstable; urgency=medium
[ Daniel Leidert ]
* debian/control: Added new package with debugging symbols.
(Vcs-Browser, Vcs-Svn): Fixed vcs-field-not-canonical.
* debian/openbabel.install: Added obrms binary.
* debian/rules: Put debugging symbols into -dbg package.
* debian/patches/715668_fix_babel_segfault.patch: Added.
- Fix a potential crash in the babel program (closes: #715668)
* debian/patches/series: Adjusted.
[ Michael Banck ]
* debian/rules (DH_AUTO_CONFIGURE_OPTS): Run testsuite only if nocheck is not
set, thanks to Matthias Klose (closes: #759196).
* Acknowledge NMUs.
2014-09-03 - Olly Betts <olly@survex.com>
openbabel (2.3.2+dfsg-1.4) unstable; urgency=low
* Non-maintainer upload.
* Update to use wxwidgets3.0.
2014-08-11 - Damyan Ivanov <dmn@debian.org>
openbabel (2.3.2+dfsg-1.3) unstable; urgency=medium
* Non-maintainer upload
* apply mistakenly omitted part of gregor's patch removing
libchemistry-openbabel-perl.install.
Really Closes: #752800. Thanks to Niko Tyni
2014-08-04 - Damyan Ivanov <dmn@debian.org>
openbabel (2.3.2+dfsg-1.2) unstable; urgency=medium
[ gregor herrmann ]
* Non-maintainer upload.
* Fix "hardcodes /usr/lib/perl5":
- remove debian/libchemistry-openbabel-perl.install
- pass perl directory to dh_install in debian/rules,
expanded from $Config{vendorarch}
(Closes: #752800)

See Also

Package Description
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openbox-kde-session_3.6.1-5_all.deb command line utility to run Openbox as KDE SC session
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openbox-menu_0.8.0+hg20161009-1_i386.deb openbox pipe-menu to display entries in *.desktop files
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