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[ Källkod: openbabel  ]

Paket: libopenbabel4v5 (2.3.2+dfsg-3build1)

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 libopenbabel4v5

  • beror
  • rekommenderar
  • föreslår
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    också ett virtuellt paket som tillhandahålls av libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libcairo2 (>= 1.2.4)
    Cairo 2D vector graphics library
  • dep: libgcc1 (>= 1:4.0)
    GCC support library
  • dep: libgomp1 (>= 4.9)
    GCC OpenMP (GOMP) support library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libxml2 (>= 2.7.4)
    GNOME XML library
  • dep: zlib1g (>= 1:1.1.4)
    compression library - runtime

Hämta libopenbabel4v5

Hämtningar för alla tillgängliga arkitekturer
Arkitektur Paketstorlek Installerad storlek Filer
amd64 2.601,2 kbyte11025 kbyte [filförteckning]
i386 2.699,1 kbyte10807 kbyte [filförteckning]