Ubuntu
openbabel package

openbabel 2.3.2+dfsg-2.2 source package in Ubuntu

Changelog

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.

 -- Simon McVittie <email address hidden>  Mon, 31 Aug 2015 22:18:57 +0100

Upload details

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

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
openbabel_2.3.2+dfsg-2.2.dsc 2.5 KiB 7a8087914509fce538bd6896be5b0be5ead8717d83d954ae6a5436d4ca565a22
openbabel_2.3.2+dfsg.orig.tar.gz 15.0 MiB 0ba6a814f3ffe6413bf7b0e941d0a970b7e3f77caf886f9dd0f0cbea03fd7b62
openbabel_2.3.2+dfsg-2.2.debian.tar.xz 14.5 KiB c2b49fd9d8f256d4dcbb5d5f3d06335615fc95b9f6778c9d5b7119b291abeb9c

No changes file available.

Binary packages built by this source

libchemistry-openbabel-perl: No summary available for libchemistry-openbabel-perl in ubuntu wily.

No description available for libchemistry-openbabel-perl in ubuntu wily.

libchemistry-openbabel-perl-dbgsym: debug symbols for package libchemistry-openbabel-perl

 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 wily.

No description available for libopenbabel-dev in ubuntu wily.

libopenbabel-dev-dbgsym: No summary available for libopenbabel-dev-dbgsym in ubuntu wily.

No description available for libopenbabel-dev-dbgsym in ubuntu wily.

libopenbabel-doc: No summary available for libopenbabel-doc in ubuntu wily.

No description available for libopenbabel-doc in ubuntu wily.

libopenbabel4v5: No summary available for libopenbabel4v5 in ubuntu wily.

No description available for libopenbabel4v5 in ubuntu wily.

libopenbabel4v5-dbgsym: No summary available for libopenbabel4v5-dbgsym in ubuntu wily.

No description available for libopenbabel4v5-dbgsym in ubuntu wily.

openbabel: Chemical toolbox utilities (cli)

 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

openbabel-dbg: Chemical toolbox library (debugging symbols)

 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 debugging symbols.

openbabel-dbgsym: No summary available for openbabel-dbgsym in ubuntu wily.

No description available for openbabel-dbgsym in ubuntu wily.

openbabel-gui: No summary available for openbabel-gui in ubuntu wily.

No description available for openbabel-gui in ubuntu wily.

openbabel-gui-dbgsym: debug symbols for package openbabel-gui

 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: Chemical toolbox library (python 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 Python binding.

python-openbabel-dbgsym: No summary available for python-openbabel-dbgsym in ubuntu xenial.

No description available for python-openbabel-dbgsym in ubuntu xenial.