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[ Source: openbabel  ]

Paketti: libopenbabel6 (3.0.0+dfsg-3ubuntu3)

Chemical toolbox library

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 shared library.

Muut pakettiin libopenbabel6 liittyvät paketit

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.29)
    GNU C Library: Shared libraries
    myös näennäispaketti, jonka toteuttaa libc6-udeb
  • dep: libcairo2 (>= 1.2.4)
    Cairo 2D vector graphics library
  • dep: libgcc-s1 (>= 3.4) [amd64]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libgomp1 (>= 4.9)
    GCC OpenMP (GOMP) support library
  • dep: libschroedinger-maeparser1
    parser for Schrödinger Maestro files
  • dep: libstdc++6 (>= 9)
    GNU Standard C++ Library v3
  • dep: libxml2 (>= 2.7.4)
    GNOME XML library
  • dep: zlib1g (>= 1:1.1.4)
    compression library - runtime

Imuroi libopenbabel6

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri Paketin koko Koko asennettuna Tiedostot
amd64 3,484.4 kt16423 kt [tiedostoluettelo]
armhf 3,150.1 kt12184 kt [tiedostoluettelo]