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[ Source: openbabel  ]

Package: openbabel (2.0.2-1)

Convert and manipulate chemical data files

Openbabel is a GPL and C++ rewrite of the 'babel' program to convert the various file formats used in chemical software. The command-line interface is mostly identical to the old 'babel' executable and recognizes these file formats among many others:

Alchemy, ChemDraw, CML, GAMESS, Gaussian, HyperChem, MDL Isis and Molfile, MOPAC, MPQC, PDB, SMILES and XYZ.

Right now, openbabel is not a 100% replacement for babel as some file formats and bond order prediction is not yet fully supported.

Tags: Field: Chemistry, Implemented in: C++, User Interface: Command Line, Role: Program, Scope: Utility, Purpose: Data Conversion

Other Packages Related to openbabel

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.3.5-1) [not alpha, i386, ia64]
    GNU C Library: Shared libraries
    dep: libc6 (>= 2.3.6-6) [i386]
  • dep: libc6.1 (>= 2.3.5-1) [alpha, ia64]
    GNU C Library: Shared libraries
  • dep: libgcc1 (>= 1:4.1.1-12) [not hppa]
    Knihovna pro překladač GCC
  • dep: libgcc4 (>= 4.1.1-12) [hppa]
    Knihovna pro překladač GCC
  • dep: libopenbabel1
    Convert and manipulate chemical data files
  • dep: libstdc++6 (>= 4.1.1-12)
    Knihovna GNU Standard C++ Library verze 3
  • dep: libunwind7 (>= 0.98.5-6) [ia64]
    Knihovna pro interpretaci volaných řetězů programu - běhová
  • dep: zlib1g (>= 1:1.2.1)
    komprimační knihovna - runtime

Download openbabel

Download for all available architectures
Architecture Package Size Installed Size Files
alpha 177.1 kB556 kB [list of files]
amd64 174.1 kB532 kB [list of files]
arm 172.3 kB424 kB [list of files]
hppa 175.5 kB528 kB [list of files]
i386 172.4 kB520 kB [list of files]
ia64 186.0 kB600 kB [list of files]
mips 172.5 kB544 kB [list of files]
mipsel 172.4 kB544 kB [list of files]
powerpc 177.7 kB540 kB [list of files]
s390 171.1 kB520 kB [list of files]
sparc 170.5 kB520 kB [list of files]