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[ Bron: openbabel  ]

Pakket: libchemistry-openbabel-perl (3.1.1+dfsg-9 en anderen)

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Chemical toolbox library (perl 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 Chemistry::Openbabel, the Perl binding for Open Babel.

Tags: Softwareontwikkeling: Ontwikkelen in Perl, Bibliotheken, Implemented in: implemented-in::c, implemented-in::perl, Role: Development Library

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Pakket downloaden voor alle beschikbare platforms
Platform Versie Pakketgrootte Geïnstalleerde grootte Bestanden
alpha (unofficial port) 3.1.1+dfsg-9+b4 571,7 kB5.061,0 kB [overzicht]
amd64 3.1.1+dfsg-9+b8 670,9 kB4.147,0 kB [overzicht]
arm64 3.1.1+dfsg-9+b8 579,9 kB4.292,0 kB [overzicht]
armel 3.1.1+dfsg-9+b8 614,5 kB3.956,0 kB [overzicht]
armhf 3.1.1+dfsg-9+b8 641,0 kB3.168,0 kB [overzicht]
hppa (unofficial port) 3.1.1+dfsg-9+b8 499,6 kB7.605,0 kB [overzicht]
i386 3.1.1+dfsg-9+b8 628,7 kB4.404,0 kB [overzicht]
ia64 (unofficial port) 3.1.1+dfsg-9 595,9 kB7.640,0 kB [overzicht]
m68k (unofficial port) 3.1.1+dfsg-9+b1 635,6 kB4.177,0 kB [overzicht]
mips64el 3.1.1+dfsg-9+b9 372,4 kB4.878,0 kB [overzicht]
ppc64 (unofficial port) 3.1.1+dfsg-9+b8 570,8 kB5.091,0 kB [overzicht]
ppc64el 3.1.1+dfsg-9+b8 588,5 kB4.804,0 kB [overzicht]
riscv64 3.1.1+dfsg-9+b5 680,5 kB3.751,0 kB [overzicht]
s390x 3.1.1+dfsg-9+b8 642,2 kB4.396,0 kB [overzicht]
sh4 (unofficial port) 3.1.1+dfsg-9 648,7 kB4.079,0 kB [overzicht]
sparc64 (unofficial port) 3.1.1+dfsg-9+b8 526,0 kB4.468,0 kB [overzicht]
x32 (unofficial port) 3.1.1+dfsg-9+b1 657,7 kB3.925,0 kB [overzicht]