Pakket: python3-openbabel (3.1.1+dfsg-11 en anderen)

[ Bron: 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.

Andere aan python3-openbabel gerelateerde pakketten

• dep: libc6 (>= 2.32) [niet alpha, ia64, sh4]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

  dep: libc6 (>= 2.40) [sh4]

• dep: libc6.1 (>= 2.32) [alpha]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6.1-udeb

  dep: libc6.1 (>= 2.36) [ia64]

• dep: libgcc-s1 (>= 3.0) [arm64, ppc64el, s390x]

  GCC support bibliotheek

  dep: libgcc-s1 (>= 3.4) [niet arm64, armel, armhf, hppa, ia64, m68k, ppc64el, s390x]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

  dep: libgcc-s1 (>= 4.2) [ia64]

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC support bibliotheek

• dep: libgcc-s4 (>= 4.1.1) [hppa]

  GCC support bibliotheek

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libpython3.11 (>= 3.11.0) [ia64]

  Shared Python runtime library (version 3.11)

  dep: libpython3.11 (>= 3.11.5) [m68k, x32]

• dep: libpython3.12t64 (>= 3.12.1) [niet alpha, ia64, m68k, x32]

  Shared Python runtime library (version 3.12)

  dep: libpython3.12t64 (>= 3.12.7) [alpha]

• dep: libstdc++6 (>= 11) [ia64]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 13.1) [niet ia64]

• dep: libunwind8 [ia64]

  library to determine the call-chain of a program - runtime

• dep: python3

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

  dep: python3 (<< 3.12) [ia64, m68k, x32]

  dep: python3 (<< 3.13) [niet ia64, m68k, x32]

  dep: python3 (>= 3.11~) [ia64, m68k, x32]

  dep: python3 (>= 3.12~) [niet ia64, m68k, x32]

python3-openbabel downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
alpha (unofficial port)	3.1.1+dfsg-11	503,9 kB	3.668,0 kB	[overzicht]
amd64	3.1.1+dfsg-11+b1	556,4 kB	3.435,0 kB	[overzicht]
arm64	3.1.1+dfsg-11+b1	528,0 kB	3.603,0 kB	[overzicht]
armel	3.1.1+dfsg-11+b1	491,6 kB	3.230,0 kB	[overzicht]
armhf	3.1.1+dfsg-11+b1	508,0 kB	2.738,0 kB	[overzicht]
hppa (unofficial port)	3.1.1+dfsg-11+b1	525,3 kB	4.387,0 kB	[overzicht]
i386	3.1.1+dfsg-11+b1	563,4 kB	3.397,0 kB	[overzicht]
ia64 (unofficial port)	3.1.1+dfsg-9	583,2 kB	5.458,0 kB	[overzicht]
m68k (unofficial port)	3.1.1+dfsg-9+b1	548,7 kB	3.348,0 kB	[overzicht]
mips64el	3.1.1+dfsg-11+b1	439,4 kB	3.855,0 kB	[overzicht]
ppc64 (unofficial port)	3.1.1+dfsg-11+b1	555,9 kB	4.264,0 kB	[overzicht]
ppc64el	3.1.1+dfsg-11+b1	561,1 kB	3.987,0 kB	[overzicht]
riscv64	3.1.1+dfsg-11+b1	574,0 kB	3.161,0 kB	[overzicht]
s390x	3.1.1+dfsg-11+b1	528,8 kB	3.491,0 kB	[overzicht]
sh4 (unofficial port)	3.1.1+dfsg-11	615,8 kB	3.413,0 kB	[overzicht]
sparc64 (unofficial port)	3.1.1+dfsg-11+b1	449,2 kB	3.958,0 kB	[overzicht]
x32 (unofficial port)	3.1.1+dfsg-9+b1	556,2 kB	3.205,0 kB	[overzicht]