Paket: python-openbabel (2.3.2+dfsg-3build1)

Länkar för python-openbabel

Trisquelresurser:

Hämta källkodspaketet openbabel:

Ansvarig:

Debichem Team (E-postarkiv)

Original Maintainers:

Debichem Team (E-postarkiv)
Michael Banck
Daniel Leidert

Externa resurser:

Hemsida [openbabel.sourceforge.net]

Liknande paket:

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.

Andra paket besläktade med python-openbabel

beror

rekommenderar

föreslår

dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av libc6-udeb

dep: libc6 (>= 2.4) [i386]
dep: libgcc1 (>= 1:3.4)

GCC support library
dep: libopenbabel4v5

Chemical toolbox library
dep: libstdc++6 (>= 5.2)

GNU Standard C++ Library v3
dep: python

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

dep: python (<< 2.8)

dep: python (>= 2.7)

Hämta python-openbabel

Hämtningar för alla tillgängliga arkitekturer
Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	634,2 kbyte	4096 kbyte	[filförteckning]
i386	624,5 kbyte	4029 kbyte	[filförteckning]

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