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[ Paquet source : openbabel  ]

Paquet : python3-openbabel (3.1.1+dfsg-9ubuntu5)

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.

Autres paquets associés à python3-openbabel

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  • dep: libc6 (>= 2.32)
    GNU C Library: Shared libraries
    un paquet virtuel est également fourni par 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: libpython3.12t64 (>= 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 Taille du paquet Espace occupé une fois installé Fichiers
amd64 585,4 ko3316 ko [liste des fichiers]
arm64 572,2 ko3408 ko [liste des fichiers]
armhf 582,4 ko2720 ko [liste des fichiers]
ppc64el 641,7 ko4304 ko [liste des fichiers]
riscv64 640,8 ko3320 ko [liste des fichiers]