Paket: libopenbabel7 (3.1.1+dfsg-11 och andra)

[ Källkod: openbabel  ]

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.

Märken: Role: Shared Library

Andra paket besläktade med libopenbabel7

• dep: libc6 (>= 2.38)

  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: libinchi1.07 (>= 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 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
amd64	3.1.1+dfsg-11+b1	3.174,8 kbyte	15.254,0 kbyte	[filförteckning]