openbabel 2.3.2+dfsg-3build1 source package in Ubuntu
Changelog
openbabel (2.3.2+dfsg-3build1) artful; urgency=medium * No-change rebuild for perl 5.26.0. -- Matthias Klose <email address hidden> Wed, 26 Jul 2017 20:11:55 +0000
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Artful
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Bionic | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| openbabel_2.3.2+dfsg.orig.tar.gz | 15.0 MiB | 0ba6a814f3ffe6413bf7b0e941d0a970b7e3f77caf886f9dd0f0cbea03fd7b62 |
| openbabel_2.3.2+dfsg-3build1.debian.tar.xz | 16.0 KiB | 2a39ede32baa734741836bdb46a408610e055abf123b854c80ad0505785a1df4 |
| openbabel_2.3.2+dfsg-3build1.dsc | 2.6 KiB | 91359cf23d8ee119cd2dc721b8e906dd55eaa730642f6fe0e962dd31b9a18f36 |
Available diffs
Binary packages built by this source
- libchemistry-openbabel-perl: No summary available for libchemistry-openbabel-perl in ubuntu artful.
No description available for libchemistry-
openbabel- perl in ubuntu artful.
- libopenbabel-dev: No summary available for libopenbabel-dev in ubuntu artful.
No description available for libopenbabel-dev in ubuntu artful.
- 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.
- libopenbabel4v5: No summary available for libopenbabel4v5 in ubuntu artful.
No description available for libopenbabel4v5 in ubuntu artful.
- 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: No summary available for openbabel-dbg in ubuntu artful.
No description available for openbabel-dbg in ubuntu artful.
- 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 artful.
No description available for python-openbabel in ubuntu artful.
