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[ Kaynak: openbabel  ]

Paket: 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.

python3-openbabel ile İlgili Diğer Paketler

  • bağımlılıklar
  • tavsiye edilen
  • önerilen
  • dep: libc6 (>= 2.32)
    GNU C Library: Shared libraries
    ayrıca şunun tarafından sağlanan bir sanal paket 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~)

python3-openbabel indir

Tüm mevcut mimariler için indir
Mimari Paket Boyutu Kurulu Boyut Dosyalar
amd64 585,4 kB3316 kB [dosya listesi]
arm64 572,2 kB3408 kB [dosya listesi]
armhf 582,4 kB2720 kB [dosya listesi]
ppc64el 641,7 kB4304 kB [dosya listesi]
riscv64 640,8 kB3320 kB [dosya listesi]