python-openbabel_2.3.2+dfsg-2.2build1_amd64.deb


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Description

python-openbabel - Chemical toolbox library (python bindings)

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

Provides

  • python2.7-openbabel

    Download

    Source package: openbabel

    Install Howto

    1. Update the package index:
      # sudo apt-get update
    2. Install python-openbabel deb package:
      # sudo apt-get install python-openbabel

    Files

    • /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

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