Skip to content
Sections
>> Trisquel >> Пакеты >> etiona >> python >> python-openbabel
etiona  ]
[ Источник: openbabel  ]

Пакет: 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.

Другие пакеты, относящиеся к python-openbabel

  • зависимости
  • рекомендации
  • предложения
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    также виртуальный пакет, предоставляемый 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)

Загрузка python-openbabel

Загрузить для всех доступных архитектур
Архитектура Размер пакета В установленном виде Файлы
amd64 634,2 Кб4096 Кб [список файлов]
i386 624,5 Кб4029 Кб [список файлов]