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Pakket: python3-openbabel (3.1.1+dfsg-9ubuntu5)

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.

Andere aan python3-openbabel gerelateerde pakketten

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.32)
    GNU C Library: Shared libraries
    Ook een virtueel pakket geboden door: libc6-udeb
  • dep: libgcc-s1 (>= 3.3.1) [arm64, ppc64el]
    GCC support library
    dep: libgcc-s1 (>= 3.4) [amd64, riscv64]
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libopenbabel7 (>= 3.1.1+dfsg)
    Chemical toolbox library
  • dep: libpython3.12t64 (>= 3.12.1)
    Shared Python runtime library (version 3.12)
  • dep: libstdc++6 (>= 13.1)
    GNU Standard C++ Library v3
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.13)
    dep: python3 (>= 3.12~)

python3-openbabel downloaden

Pakket downloaden voor alle beschikbare platforms
Platform Pakketgrootte Geïnstalleerde grootte Bestanden
amd64 585,4 kB3316 kB [overzicht]
arm64 572,2 kB3408 kB [overzicht]
armhf 582,4 kB2720 kB [overzicht]
ppc64el 641,7 kB4304 kB [overzicht]
riscv64 640,8 kB3320 kB [overzicht]