Paketti: python3-openbabel (3.1.1+dfsg-9 ja muut)

[ Source: openbabel  ]

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 python3-openbabel liittyvät paketit

• dep: libc6 (>= 2.32)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libgcc-s1 (>= 3.4)

  GCC:n apukirjasto

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libpython3.11 (>= 3.11.0)

  Shared Python runtime library (version 3.11)

• dep: libstdc++6 (>= 11)

  GNU standardi C++ -kirjasto, versio 3

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.12)

  dep: python3 (>= 3.11~)

Imuroi python3-openbabel

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Versio	Paketin koko	Koko asennettuna	Tiedostot
amd64	3.1.1+dfsg-9+b3	544.0 kt	3,383.0 kt	[tiedostoluettelo]