python-openbabel_2.3.2+dfsg-3build1_i386.deb


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Description

python-openbabel - Chemical toolbox library (python bindings)

Property Value
Distribution Ubuntu 18.04 LTS (Bionic Beaver)
Repository Ubuntu Universe i386
Package filename python-openbabel_2.3.2+dfsg-3build1_i386.deb
Package name python-openbabel
Package version 2.3.2+dfsg
Package release 3build1
Package architecture i386
Package type deb
Category universe/python
Homepage http://openbabel.sourceforge.net
License -
Maintainer Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Download size 624.52 KB
Installed size 3.93 MB
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.

Alternatives

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

Requires

Name Value
libc6 >= 2.4
libgcc1 >= 1:3.4
libopenbabel4v5 -
libstdc++6 >= 5.2
python << 2.8
python >= 2.7
python:any >= 2.6.6-7~

Provides

Name Value
python2.7-openbabel -

Download

Type URL
Mirror archive.ubuntu.com
Binary Package python-openbabel_2.3.2+dfsg-3build1_i386.deb
Source Package openbabel

Install Howto

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

Files

Path
/usr/lib/python2.7/dist-packages/_openbabel.so
/usr/lib/python2.7/dist-packages/openbabel-1.7.egg-info
/usr/lib/python2.7/dist-packages/openbabel.py
/usr/lib/python2.7/dist-packages/pybel.py
/usr/share/doc-base/python-openbabel-openbabel
/usr/share/doc-base/python-openbabel-pybel
/usr/share/doc/python-openbabel/Examples.html
/usr/share/doc/python-openbabel/changelog.Debian.gz
/usr/share/doc/python-openbabel/copyright
/usr/share/doc/python-openbabel/pybelapi.html
/usr/share/doc/python-openbabel/examples/dalke_test.py
/usr/share/doc/python-openbabel/examples/energy.py
/usr/share/doc/python-openbabel/examples/examples.py
/usr/share/doc/python-openbabel/examples/findcoverage.bat
/usr/share/doc/python-openbabel/examples/hashizume.cif
/usr/share/doc/python-openbabel/examples/head.sdf
/usr/share/doc/python-openbabel/examples/minSimple.py
/usr/share/doc/python-openbabel/examples/testpybel.py
/usr/share/doc/python-openbabel/examples/wgtRotorSrch.py

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
python-openctm_1.0.3+dfsg1-1.1build3_all.deb Python bindings for OpenCTM library
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python-opencv_3.2.0+dfsg-4build2_i386.deb Python bindings for the computer vision library
python-opengl_3.1.0+dfsg-1_all.deb Python bindings to OpenGL (Python 2)
python-opengm-doc_2.3.6+20160905-1build2_all.deb documentation for the Python interface to OpenGM
python-opengm_2.3.6+20160905-1build2_i386.deb Python interface to OpenGM
python-openid-cla_1.2-1_all.deb OpenID CLA extension for python-openid (Python 2)
python-openid-teams_1.1-1_all.deb OpenID teams extension for python-openid (Python 2)
python-openimageio_1.7.17~dfsg0-1ubuntu2_i386.deb Library for reading and writing images - Python bindings
python-openopt_0.38+svn1589-1.1_all.deb Python module for numerical optimization
python-openpyxl_2.4.9-1_all.deb Python module to read/write OpenXML xlsx/xlsm files
python-openscap_1.2.15-1build1_i386.deb Set of libraries enabling integration of the SCAP line of standards
python-openslide-examples_1.1.1-2ubuntu4_all.deb Python examples for python-openslide and python3-openslide
python-openslide_1.1.1-2ubuntu4_i386.deb Python 2 wrapper for reading whole slide image files
python-openstack-compute_2.0a1-0ubuntu3_i386.deb Python bindings for the Rasckspace Cloud Servers API
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