Package: python3-openbabel (3.1.1+dfsg-9 and others)

[ Source: openbabel  ]

Chemical toolbox library (Python bindings)

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.

Other Packages Related to python3-openbabel

• dep: libc6 (>= 2.32) [not alpha, ia64, sh4]

  GNU C Library: Shared libraries
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.36) [sh4]

• dep: libc6.1 (>= 2.32) [alpha]

  GNU C Library: Shared libraries
  also a virtual package provided by libc6.1-udeb

  dep: libc6.1 (>= 2.36) [ia64]

• dep: libgcc-s1 (>= 3.0) [arm64, ppc64el, s390x]

  GCC support library

  dep: libgcc-s1 (>= 3.4) [not arm64, armel, armhf, hppa, ia64, m68k, ppc64el, s390x]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

  dep: libgcc-s1 (>= 4.2) [ia64]

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC support library

• dep: libgcc-s4 (>= 4.1.1) [hppa]

  GCC support library

• dep: libgomp1 (>= 4.2.1) [sparc64]

  GCC OpenMP (GOMP) support library

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libpython3.11 (>= 3.11.0) [ia64, sh4]

  Shared Python runtime library (version 3.11)

  dep: libpython3.11 (>= 3.11.5) [alpha, m68k, x32]

• dep: libpython3.11t64 (>= 3.11.5) [not alpha, ia64, m68k, sh4, x32]

  Shared Python runtime library (version 3.11)

• dep: libstdc++6 (>= 11) [ia64, sh4]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 13.1) [not ia64, sh4]

• dep: libunwind8 [ia64]

  library to determine the call-chain of a program - runtime

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.12)

  dep: python3 (>= 3.11~)

Download python3-openbabel

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	3.1.1+dfsg-9+b4	507.3 kB	3,734.0 kB	[list of files]
amd64	3.1.1+dfsg-9+b8	559.2 kB	3,459.0 kB	[list of files]
arm64	3.1.1+dfsg-9+b8	527.2 kB	3,603.0 kB	[list of files]
armel	3.1.1+dfsg-9+b8	495.2 kB	3,246.0 kB	[list of files]
armhf	3.1.1+dfsg-9+b8	511.9 kB	2,754.0 kB	[list of files]
hppa (unofficial port)	3.1.1+dfsg-9+b8	531.8 kB	4,435.0 kB	[list of files]
i386	3.1.1+dfsg-9+b8	562.5 kB	3,413.0 kB	[list of files]
ia64 (unofficial port)	3.1.1+dfsg-9	583.2 kB	5,458.0 kB	[list of files]
m68k (unofficial port)	3.1.1+dfsg-9+b1	548.7 kB	3,348.0 kB	[list of files]
mips64el	3.1.1+dfsg-9+b9	438.8 kB	3,920.0 kB	[list of files]
ppc64 (unofficial port)	3.1.1+dfsg-9+b8	554.6 kB	4,329.0 kB	[list of files]
ppc64el	3.1.1+dfsg-9+b8	564.0 kB	4,051.0 kB	[list of files]
riscv64	3.1.1+dfsg-9+b5	567.5 kB	3,157.0 kB	[list of files]
s390x	3.1.1+dfsg-9+b8	538.5 kB	3,543.0 kB	[list of files]
sh4 (unofficial port)	3.1.1+dfsg-9	603.6 kB	3,413.0 kB	[list of files]
sparc64 (unofficial port)	3.1.1+dfsg-9+b8	457.8 kB	3,959.0 kB	[list of files]
x32 (unofficial port)	3.1.1+dfsg-9+b1	556.2 kB	3,205.0 kB	[list of files]