Paket: libopenbabel7 (3.1.1+dfsg-11 ve diğerleri) [debports]

[ Kaynak:  ]

Chemical toolbox library

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 shared library.

libopenbabel7 ile İlgili Diğer Paketler

• dep: libc6 (>= 2.38)

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

• dep: libcairo2 (>= 1.2.4)

  Cairo 2D vector graphics library

• dep: libgcc-s1 (>= 3.4)

  GCC support library

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libinchi1.07 (>= 1.07.1+dfsg)

  International Chemical Identifier (InChI) algorithm (library)

• dep: libmaeparser1 (>= 1.3.1)

  parser for Schrödinger Maestro files

• dep: libstdc++6 (>= 13.1)

  GNU Standard C++ Library v3

• dep: libxml2 (>= 2.7.4)

  GNOME XML library

• dep: zlib1g (>= 1:1.1.4)

  compression library - runtime

libopenbabel7 indir

Tüm mevcut mimariler için indir

Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
sparc64 (resmi olmayan port)	3.1.1+dfsg-11+b1	3.026,6 kB	138.670,0 kB	[dosya listesi]