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Пакет: 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.

Другие пакеты, относящиеся к python3-openbabel

  • зависимости
  • рекомендации
  • предложения
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    также виртуальный пакет, предоставляемый libc6-udeb
    dep: libc6 (>= 2.4) [armhf]
  • dep: libgcc-s1 (>= 3.4) [amd64]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libopenbabel6 (>= 3.0.0+dfsg)
    Chemical toolbox library
  • dep: libpython3.8 (>= 3.8.2)
    Shared Python runtime library (version 3.8)
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.9)
    dep: python3 (>= 3.8~)

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