openbabel 3.0.0+dfsg-3ubuntu3 source package in Ubuntu
Changelog
openbabel (3.0.0+dfsg-3ubuntu3) focal; urgency=medium
* Make the autopkg tests more verbose, don't fail on the first failing test.
* Re-enable the tests on arm64.
* Skip the test/testroundtrip.py test on all architectures, times out on the
buildds.
* Skip the testbindings.py and testsym.py tests on non amd64 architectures.
-- Matthias Klose <email address hidden> Wed, 11 Mar 2020 12:52:36 +0100
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Focal
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Focal | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| openbabel_3.0.0+dfsg.orig.tar.xz | 21.5 MiB | 11933d58fbf0cc8b7982a7734c0d62191b7f4f2aed850943d753e8212a450f02 |
| openbabel_3.0.0+dfsg-3ubuntu3.debian.tar.xz | 22.2 KiB | dcdf36cbb65dd8e81d1a0ffb71940e672853495f5e29cfc727023c33a122da36 |
| openbabel_3.0.0+dfsg-3ubuntu3.dsc | 2.7 KiB | c48fea9a094d1f01ad453ae346e05e21091ce214fa041e16aa8ecb52b7446094 |
Available diffs
Binary packages built by this source
- libchemistry-openbabel-perl: No summary available for libchemistry-openbabel-perl in ubuntu groovy.
No description available for libchemistry-
openbabel- perl in ubuntu groovy.
- libchemistry-openbabel-perl-dbgsym: debug symbols for libchemistry-openbabel-perl
- libopenbabel-dev: Chemical toolbox library (development files)
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 static library and the header files.
- 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.
- libopenbabel6: 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.
- libopenbabel6-dbgsym: No summary available for libopenbabel6-dbgsym in ubuntu groovy.
No description available for libopenbabel6-
dbgsym in ubuntu groovy.
- openbabel: No summary available for openbabel in ubuntu groovy.
No description available for openbabel in ubuntu groovy.
- openbabel-dbgsym: debug symbols for openbabel
- 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.
- openbabel-gui-dbgsym: debug symbols for openbabel-gui
- python3-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.
- python3-openbabel-dbgsym: No summary available for python3-openbabel-dbgsym in ubuntu groovy.
No description available for python3-
openbabel- dbgsym in ubuntu groovy.
