Paket: python3-openbabel (3.1.1+dfsg-6)

[ Kaynak: openbabel  ]

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

• dep: libc6 (>= 2.14) [amd64]

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

  dep: libc6 (>= 2.17) [arm64]

  dep: libc6 (>= 2.22) [ppc64el]

  dep: libc6 (>= 2.4) [amd64, arm64, ppc64el değil]

• dep: libgcc-s1 (>= 3.0) [arm64, ppc64el, s390x]

  GCC support library

  dep: libgcc-s1 (>= 3.4) [amd64, i386, mips64el, mipsel]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libpython3.9 (>= 3.9.1)

  Shared Python runtime library (version 3.9)

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.10)

  dep: python3 (>= 3.9~)

python3-openbabel indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
amd64	552,0 kB	3.402,0 kB	[dosya listesi]
arm64	511,3 kB	3.386,0 kB	[dosya listesi]
armel	485,3 kB	3.105,0 kB	[dosya listesi]
armhf	499,9 kB	2.645,0 kB	[dosya listesi]
i386	559,1 kB	3.372,0 kB	[dosya listesi]
mips64el	437,5 kB	3.862,0 kB	[dosya listesi]
mipsel	439,2 kB	3.664,0 kB	[dosya listesi]
ppc64el	562,7 kB	3.994,0 kB	[dosya listesi]
s390x	501,6 kB	3.454,0 kB	[dosya listesi]