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[ Bron: openbabel  ]

Pakket: libchemistry-openbabel-perl (3.1.1+dfsg-6)

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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 Pakketgrootte Geïnstalleerde grootte Bestanden
amd64 668,7 kB4.068,0 kB [overzicht]
arm64 584,5 kB4.086,0 kB [overzicht]
armel 598,4 kB3.798,0 kB [overzicht]
armhf 633,7 kB3.034,0 kB [overzicht]
i386 623,1 kB4.346,0 kB [overzicht]
mips64el 378,0 kB4.787,0 kB [overzicht]
mipsel 378,9 kB4.836,0 kB [overzicht]
ppc64el 595,8 kB4.682,0 kB [overzicht]
s390x 601,2 kB4.334,0 kB [overzicht]