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[ Source: openbabel  ]

Paketti: libopenbabel7 (3.1.1+dfsg-9 ja muut)

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Chemical toolbox library

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 shared library.

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Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri Versio Paketin koko Koko asennettuna Tiedostot
amd64 3.1.1+dfsg-9+b3 3,049.7 kt14,952.0 kt [tiedostoluettelo]
arm64 3.1.1+dfsg-9+b3 2,837.8 kt18,433.0 kt [tiedostoluettelo]
armel 3.1.1+dfsg-9+b3 2,751.1 kt17,620.0 kt [tiedostoluettelo]
armhf 3.1.1+dfsg-9+b3 2,761.8 kt15,957.0 kt [tiedostoluettelo]
i386 3.1.1+dfsg-9+b3 3,184.3 kt14,726.0 kt [tiedostoluettelo]
mips64el 3.1.1+dfsg-9+b3 2,878.4 kt20,044.0 kt [tiedostoluettelo]
mipsel 3.1.1+dfsg-9+b3 2,899.6 kt19,198.0 kt [tiedostoluettelo]
ppc64el 3.1.1+dfsg-9+b3 3,180.5 kt20,098.0 kt [tiedostoluettelo]
s390x 3.1.1+dfsg-9+b3 2,812.1 kt14,678.0 kt [tiedostoluettelo]