Paket: libopenbabel7 (3.1.1+dfsg-9 och andra) [debports]

[ Källkod:  ]

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.

Andra paket besläktade med libopenbabel7

• dep: libc6 (>= 2.34)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

• dep: libcairo2 (>= 1.2.4)

  Cairo 2D vector graphics library

• dep: libgcc-s1 (>= 3.4)

  GCC stödbibliotek

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libinchi1 (>= 1.03+dfsg)

  International Chemical Identifier (InChI) algorithm (library)

• dep: libmaeparser1 (>= 1.3.1)

  parser for Schrödinger Maestro files

• dep: libstdc++6 (>= 13.1)

  GNU standardbibliotek v3 för C++

• dep: libxml2 (>= 2.7.4)

  GNOME XML library

• dep: zlib1g (>= 1:1.1.4)

  Kompressionsbibliotek - körtidspaket

Hämta libopenbabel7

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
x32 (inofficiell anpassning)	3.1.1+dfsg-9+b1	3.098,1 kbyte	14.231,0 kbyte	[filförteckning]