Paquet : python3-openbabel (3.1.1+dfsg-12)

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Télécharger le paquet source openbabel :

Responsables :

Ressources externes :

Page d'accueil [openbabel.org]

Paquets similaires :

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.

Autres paquets associés à python3-openbabel

dépendances

recommandations

suggestions

enhances

dep: libc6 (>= 2.32)

GNU C Library: Shared libraries
un paquet virtuel est également fourni par libc6-udeb
dep: libgcc-s1 (>= 3.0) [arm64]

GCC support library

dep: libgcc-s1 (>= 3.4) [amd64]
dep: libopenbabel7 (>= 3.1.1+dfsg)

Chemical toolbox library
dep: libpython3.13 (>= 3.13.0~rc3)

Shared Python runtime library (version 3.13)
dep: libstdc++6 (>= 13.1)

GNU Standard C++ Library v3
dep: python3

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

dep: python3 (<< 3.14)

dep: python3 (>= 3.13~)

Télécharger python3-openbabel

Télécharger pour toutes les architectures proposées
Architecture	Taille du paquet	Espace occupé une fois installé	Fichiers
amd64	564,2 ko	3 474,0 ko	[liste des fichiers]
arm64	534,4 ko	3 666,0 ko	[liste des fichiers]