Package: python3-openbabel (3.1.1+dfsg-6)

[ 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 (>= 2.14) [amd64]

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

  dep: libc6 (>= 2.17) [arm64]

  dep: libc6 (>= 2.22) [ppc64el]

  dep: libc6 (>= 2.4) [not amd64, arm64, ppc64el]

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

  GCC support library

  dep: libgcc-s1 (>= 3.4) [amd64, i386, mips64el, mipsel]

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

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libpython3.9 (>= 3.9.1)

  Shared Python runtime library (version 3.9)

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: python3

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

  dep: python3 (<< 3.10)

  dep: python3 (>= 3.9~)

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Architecture	Package Size	Installed Size	Files
amd64	552.0 kB	3,402.0 kB	[list of files]
arm64	511.3 kB	3,386.0 kB	[list of files]
armel	485.3 kB	3,105.0 kB	[list of files]
armhf	499.9 kB	2,645.0 kB	[list of files]
i386	559.1 kB	3,372.0 kB	[list of files]
mips64el	437.5 kB	3,862.0 kB	[list of files]
mipsel	439.2 kB	3,664.0 kB	[list of files]
ppc64el	562.7 kB	3,994.0 kB	[list of files]
s390x	501.6 kB	3,454.0 kB	[list of files]