Balík: python3-openbabel (3.1.1+dfsg-9 a iné)

Odkazy pre python3-openbabel

Sledovanie záplat eLxr

Stiahnuť zdrojový balík openbabel:

Správcovia:

Externé zdroje:

Domovská stránka [openbabel.sourceforge.net]

Podobné balíky:

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.

Ostatné balíky súvisiace s balíkom python3-openbabel

závisí

odporúča

navrhuje

vylepšuje

dep: libc6 (>= 2.32)

GNU C Library: Shared libraries
tiež virtuálny balík poskytovaný balíkom 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: libpython3.11 (>= 3.11.0)

Shared Python runtime library (version 3.11)
dep: libstdc++6 (>= 11)

GNU Standard C++ Library v3
dep: python3

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

dep: python3 (<< 3.12)

dep: python3 (>= 3.11~)

Stiahnuť python3-openbabel

Stiahnuť pre všetky dostupné architektúry
Architektúra	Verzia	Veľkosť balíka	Nainštalovaná veľkosť	Súbory
amd64	3.1.1+dfsg-9+b3	544.0 kB	3,383.0 kB	[zoznam súborov]
arm64	3.1.1+dfsg-9+b3	509.9 kB	3,475.0 kB	[zoznam súborov]