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[ Pakiet źródłowy: openbabel  ]

Pakiet: python-openbabel (2.3.2+dfsg-3build1)

Chemical toolbox library (python bindings)

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 Python binding.

Inne pakiety związane z python-openbabel

  • wymaga
  • poleca
  • sugeruje
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    również pakiet wirtualny udostępniany przez libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libgcc1 (>= 1:3.4)
    GCC support library
  • dep: libopenbabel4v5
    Chemical toolbox library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: python
    interactive high-level object-oriented language (default version)
    dep: python (<< 2.8)
    dep: python (>= 2.7)

Pobieranie python-openbabel

Pobierz dla wszystkich dostępnych architektur
Architektura Rozmiar pakietu Rozmiar po instalacji Pliki
amd64 634,2 KiB4096 KiB [lista plików]
i386 624,5 KiB4029 KiB [lista plików]