openbabel 2.3.0+dfsg-2ubuntu1 source package in Ubuntu
Changelog
openbabel (2.3.0+dfsg-2ubuntu1) oneiric; urgency=low * Merge with Debian (fix LP: #791235); remaining changes: - Don't build the openbabel-gui package: Addresses: 780971. openbabel (2.3.0+dfsg-2) UNRELEASED; urgency=low * debian/rules: Make override_dh_auto_test a no-op (closes: 624597). -- Matthias Klose <email address hidden> Fri, 26 Aug 2011 14:50:12 +0200
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Oneiric
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- science
- Urgency:
- Low Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| openbabel_2.3.0+dfsg.orig.tar.gz | 10.5 MiB | 274720303e455e9c87ede362d7185fcaeaa40eb9028c7fb091e8324221fbd8fc |
| openbabel_2.3.0+dfsg-2ubuntu1.debian.tar.gz | 11.4 KiB | d40121207d12e4ba736d0ba49d3cced6da81401cb5ca59b4ecdd29153e64899e |
| openbabel_2.3.0+dfsg-2ubuntu1.dsc | 1.6 KiB | e619af6ec78c303d75bf75eb35db182179561d386f0f39f86769481d086553e2 |
Available diffs
Binary packages built by this source
- libchemistry-openbabel-perl: No summary available for libchemistry-openbabel-perl in ubuntu oneiric.
No description available for libchemistry-
openbabel- perl in ubuntu oneiric.
- libopenbabel-dev: Chemical toolbox library (development files)
Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It allows 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: No summary available for libopenbabel-doc in ubuntu oneiric.
No description available for libopenbabel-doc in ubuntu oneiric.
- libopenbabel4: No summary available for libopenbabel4 in ubuntu oneiric.
No description available for libopenbabel4 in ubuntu oneiric.
- openbabel: Chemical toolbox utilities (cli)
Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It allows 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
* obprop: Print standard molecular properties
* obfit: Superimpose two molecules based on a pattern
* obrotamer: Generate conformer/rotamer coordinates
* obchiral: Print molecular chirality information
* obrotate: Rotate dihedral angle of molecules in batch mode
*
- python-openbabel: No summary available for python-openbabel in ubuntu oneiric.
No description available for python-openbabel in ubuntu oneiric.
