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[ Source: openbabel  ]

Package: python3-openbabel (3.1.1+dfsg-9ubuntu2)

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

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.32)
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
  • dep: libgcc-s1 (>= 3.3.1) [arm64, ppc64el]
    GCC support library
    dep: libgcc-s1 (>= 3.4) [amd64, riscv64]
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libopenbabel7 (>= 3.1.1+dfsg)
    Chemical toolbox library
  • dep: libpython3.12 (>= 3.12.1)
    Shared Python runtime library (version 3.12)
  • dep: libstdc++6 (>= 13.1)
    GNU Standard C++ Library v3
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.13)
    dep: python3 (>= 3.12~)

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Architecture Package Size Installed Size Files
amd64 586.5 kB3316 kB [list of files]
arm64 572.1 kB3472 kB [list of files]
armhf 582.9 kB2720 kB [list of files]
ppc64el 639.0 kB4304 kB [list of files]
riscv64 640.8 kB3320 kB [list of files]