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Package: python-openbabel (2.2.3-1 and others)

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 (>= 2.2.5) [amd64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.3.6-6~) [i386]
    dep: libc6 (>= 2.4) [armel, mips, mipsel, powerpc, s390]
    dep: libc6 (>= 2.5) [hppa]
    dep: libc6 (>= 2.6) [sparc]
  • dep: libc6.1 (>= 2.2) [ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6.1-udeb
  • dep: libgcc1 (>= 1:4.1.1) [not armel, hppa]
    GCC support library
    dep: libgcc1 (>= 1:4.4.0) [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 (>= 4.4.0) [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 (>= 0.90.0)
    automated rebuilding support for Python modules

Download python-openbabel

Download for all available architectures
Architecture Version Package Size Installed Size Files
amd64 2.2.3-1 1,122.3 kB4968 kB [list of files]
armel 2.2.3-1+b1 991.1 kB4364 kB [list of files]
hppa 2.2.3-1 1,296.2 kB6912 kB [list of files]
i386 2.2.3-1 1,075.1 kB4628 kB [list of files]
ia64 2.2.3-1+b1 1,372.0 kB8352 kB [list of files]
mips 2.2.3-1 942.3 kB5820 kB [list of files]
mipsel 2.2.3-1 911.3 kB5820 kB [list of files]
powerpc 2.2.3-1 1,145.8 kB5164 kB [list of files]
s390 2.2.3-1 1,022.1 kB5072 kB [list of files]
sparc 2.2.3-1 1,110.9 kB4936 kB [list of files]