Paket: python3-openbabel (3.1.1+dfsg-11 und andere)

Links für python3-openbabel

Debian-Ressourcen:

Quellcode-Paket openbabel herunterladen:

Betreuer:

Externe Ressourcen:

Homepage [openbabel.org]

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.

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dep: libc6 (>= 2.32)

GNU-C-Bibliothek: Laufzeitbibliotheken
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
dep: libgcc-s1 (>= 3.0)

GCC Support-Bibliothek
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-Implementierung der Standard-C++-Bibliothek (Version 3)
dep: python3

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

dep: python3 (<< 3.13)

dep: python3 (>= 3.12~)

python3-openbabel herunterladen

Download für alle verfügbaren Architekturen
Architektur	Version	Paketgröße	Größe (installiert)	Dateien
ppc64el	3.1.1+dfsg-11+b1	561,1 kB	3.987,0 kB	[Liste der Dateien]