Paket: python3-openbabel (3.1.1+dfsg-6ubuntu5)

Länkar för python3-openbabel

Trisquelresurser:

Hämta källkodspaketet openbabel:

Ansvarig:

Debichem Team (E-postarkiv)

Original Maintainers:

Debichem Team (E-postarkiv)
Michael Banck
Daniel Leidert
Andrius Merkys

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 python3-openbabel

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rekommenderar

föreslår

dep: libc6 (>= 2.32)

GNU C Library: Shared libraries
också ett virtuellt paket som tillhandahålls av libc6-udeb
dep: libgcc-s1 (>= 3.3.1)

GCC support library
dep: libopenbabel7 (>= 3.1.1+dfsg)

Chemical toolbox library
dep: libpython3.10 (>= 3.10.0)

Shared Python runtime library (version 3.10)
dep: libstdc++6 (>= 11)

GNU Standard C++ Library v3
dep: python3

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

dep: python3 (<< 3.11)

dep: python3 (>= 3.10~)

Hämta python3-openbabel

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Arkitektur	Paketstorlek	Installerad storlek	Filer
arm64	567,2 kbyte	3276 kbyte	[filförteckning]

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