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[ Paquet source : openbabel  ]

Paquet : python3-openbabel (3.0.0+dfsg-3ubuntu3)

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.

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  • dep: libc6 (>= 2.14) [amd64]
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    dep: libc6 (>= 2.4) [armhf]
  • dep: libgcc-s1 (>= 3.4) [amd64]
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    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libopenbabel6 (>= 3.0.0+dfsg)
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  • dep: libpython3.8 (>= 3.8.2)
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  • dep: libstdc++6 (>= 5.2)
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  • dep: python3
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    dep: python3 (<< 3.9)
    dep: python3 (>= 3.8~)

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Architecture Taille du paquet Espace occupé une fois installé Fichiers
amd64 542,6 ko3391 ko [liste des fichiers]
armhf 481,1 ko2588 ko [liste des fichiers]