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Paketti: 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.

Muut pakettiin python-openbabel liittyvät paketit

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    myös näennäispaketti, jonka toteuttaa 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)

Imuroi python-openbabel

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri Paketin koko Koko asennettuna Tiedostot
amd64 634.2 kt4096 kt [tiedostoluettelo]
i386 624.5 kt4029 kt [tiedostoluettelo]