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[ Kaynak: openbabel  ]

Paket: openbabel-gui (3.0.0+dfsg-3ubuntu3)

Chemical toolbox utilities (graphical user interface)

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 openbabel GUI based on wxWidgets.

openbabel-gui ile İlgili Diğer Paketler

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  • önerilen
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
    dep: libc6 (>= 2.4) [armhf]
  • dep: libgcc-s1 (>= 3.0) [amd64]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libopenbabel6 (>= 3.0.0+dfsg)
    Chemical toolbox library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libwxbase3.0-0v5 (>= 3.0.4+dfsg)
    wxBase library (runtime) - non-GUI support classes of wxWidgets toolkit
  • dep: libwxgtk3.0-gtk3-0v5 (>= 3.0.4+dfsg-10~)
    wxWidgets Cross-platform C++ GUI toolkit (GTK 3 runtime)

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Tüm mevcut mimariler için indir
Mimari Paket Boyutu Kurulu Boyut Dosyalar
amd64 91,6 kB421 kB [dosya listesi]
armhf 78,5 kB252 kB [dosya listesi]