Description
python-openbabel - Chemical toolbox library (python bindings)
| Property |
Value |
| Distribution |
Ubuntu 16.04 LTS (Xenial Xerus) |
| Repository |
Ubuntu Universe amd64 |
| Package name |
python-openbabel |
| Package version |
2.3.2+dfsg |
| Package release |
2.2build1 |
| Package architecture |
amd64 |
| Package type |
deb |
| Installed size |
4.02 KB |
| Download size |
638.01 KB |
| Official Mirror |
archive.ubuntu.com |
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.
Alternatives
Requires
Provides
| Name |
Value |
| python2.7-openbabel |
- |
Download
Install Howto
- Update the package index:
# sudo apt-get update
- Install python-openbabel deb package:
# sudo apt-get install python-openbabel
Files
| Path |
| /usr/lib/python2.7/dist-packages/_openbabel.so |
| /usr/lib/python2.7/dist-packages/openbabel-1.7.egg-info |
| /usr/lib/python2.7/dist-packages/openbabel.py |
| /usr/lib/python2.7/dist-packages/pybel.py |
| /usr/share/doc-base/python-openbabel-openbabel |
| /usr/share/doc-base/python-openbabel-pybel |
| /usr/share/doc/python-openbabel/Examples.html |
| /usr/share/doc/python-openbabel/changelog.Debian.gz |
| /usr/share/doc/python-openbabel/copyright |
| /usr/share/doc/python-openbabel/pybelapi.html |
| /usr/share/doc/python-openbabel/examples/dalke_test.py |
| /usr/share/doc/python-openbabel/examples/energy.py |
| /usr/share/doc/python-openbabel/examples/examples.py |
| /usr/share/doc/python-openbabel/examples/findcoverage.bat |
| /usr/share/doc/python-openbabel/examples/hashizume.cif |
| /usr/share/doc/python-openbabel/examples/head.sdf |
| /usr/share/doc/python-openbabel/examples/minSimple.py |
| /usr/share/doc/python-openbabel/examples/testpybel.py |
| /usr/share/doc/python-openbabel/examples/wgtRotorSrch.py |
Changelog
See openbabel_2.3.2+dfsg-2.2build1_amd64.deb changelog.
See Also