Ubuntu
openbabel package

openbabel 2.3.2+dfsg-1.1 source package in Ubuntu

Changelog

openbabel (2.3.2+dfsg-1.1) unstable; urgency=low


  * Non-maintainer upload.
  * Replace libeigen2-dev by libeigen3-dev. (Closes: #726179)

 -- Anton Gladky <email address hidden>  Thu, 16 Jan 2014 19:06:26 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Low Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Trusty release universe science

Downloads

File Size SHA-256 Checksum
openbabel_2.3.2+dfsg-1.1.dsc 2.4 KiB e74a710f24468a7a1b24a63d7e00a0ac070ac5cfb33520ecbc58e42a46151fcc
openbabel_2.3.2+dfsg.orig.tar.gz 15.0 MiB 0ba6a814f3ffe6413bf7b0e941d0a970b7e3f77caf886f9dd0f0cbea03fd7b62
openbabel_2.3.2+dfsg-1.1.debian.tar.xz 13.4 KiB 314cdc39a79e7bb2265280f67407e3a630a2933e14a2e2d58d723428e1d4d02e

No changes file available.

Binary packages built by this source

libchemistry-openbabel-perl: Chemical toolbox library (perl bindings)

 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 Perl binding.

libopenbabel-dev: No summary available for libopenbabel-dev in ubuntu utopic.

No description available for libopenbabel-dev in ubuntu utopic.

libopenbabel-doc: Chemical toolbox library (documentation)

 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 library documentation.

libopenbabel4: Chemical toolbox library

 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 shared library.

openbabel: No summary available for openbabel in ubuntu utopic.

No description available for openbabel in ubuntu utopic.

openbabel-gui: Chemical toolbox utilities (graphical user interface)

 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 openbabel GUI based on wxWidgets.

python-openbabel: No summary available for python-openbabel in ubuntu utopic.

No description available for python-openbabel in ubuntu utopic.