openbabel 2.3.0+dfsg-3ubuntu3 source package in Ubuntu
Changelog
openbabel (2.3.0+dfsg-3ubuntu3) precise; urgency=low * Build using dh_python2 -- Matthias Klose <email address hidden> Sat, 17 Dec 2011 13:23:38 +0000
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Precise
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Low Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Precise | release | main | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| openbabel_2.3.0+dfsg.orig.tar.gz | 10.5 MiB | 274720303e455e9c87ede362d7185fcaeaa40eb9028c7fb091e8324221fbd8fc |
| openbabel_2.3.0+dfsg-3ubuntu3.debian.tar.gz | 12.3 KiB | c1cdd0e24c65eaaa0b37cab273c89385747e6bb4d5da12816c7f5a5545ab899d |
| openbabel_2.3.0+dfsg-3ubuntu3.dsc | 1.8 KiB | 84ef5797d71576724ea24eabd6ce9d8001fb54ef019acc5c6cf7f7cfa94242a8 |
Available diffs
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 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: 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 quantal.
No description available for libopenbabel-doc in ubuntu quantal.
- libopenbabel4: No summary available for libopenbabel4 in ubuntu quantal.
No description available for libopenbabel4 in ubuntu quantal.
- 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 quantal.
No description available for python-openbabel in ubuntu quantal.
