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Package: python-openbabel (2.2.0-2)

Chemical toolbox library (python 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 Python binding.

Tags: Software Development: Python Development, Field: Chemistry, Implemented in: C++, Role: Shared Library

Other Packages Related to python-openbabel

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.7-1) [not alpha, ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
  • dep: libc6.1 (>= 2.7-1) [alpha, ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6.1-udeb
  • dep: libgcc1 (>= 1:4.1.1) [not arm, armel, hppa]
    GCC support library
    dep: libgcc1 (>= 1:4.3) [arm, armel]
  • dep: libgcc4 (>= 4.1.1) [hppa]
    GCC support library
  • dep: libopenbabel3
    Chemical toolbox library
  • dep: libstdc++6 (>= 4.2.1) [not armel]
    The GNU Standard C++ Library v3
    dep: libstdc++6 (>= 4.3) [armel]
  • dep: libunwind7 (>= 0.98.5-6) [ia64]
    A library to determine the call-chain of a program - runtime
  • dep: python (<< 2.6)
    An interactive high-level object-oriented language (default version)
    dep: python (>= 2.4)
  • dep: python-support (>= 0.7.1)
    automated rebuilding support for Python modules

Download python-openbabel

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Architecture Package Size Installed Size Files
alpha 1,172.1 kB5184 kB [list of files]
amd64 1,172.2 kB4844 kB [list of files]
arm 1,147.3 kB4568 kB [list of files]
armel 1,059.3 kB4288 kB [list of files]
hppa 1,339.5 kB6700 kB [list of files]
i386 1,133.1 kB4532 kB [list of files]
ia64 1,403.2 kB8056 kB [list of files]
mips 1,004.5 kB5648 kB [list of files]
mipsel 973.0 kB5648 kB [list of files]
powerpc 1,197.0 kB5032 kB [list of files]
s390 1,074.4 kB4936 kB [list of files]
sparc 1,165.9 kB4812 kB [list of files]