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[ Bron: openbabel  ]

Pakket: openbabel-gui (3.1.1+dfsg-6)

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Chemical toolbox utilities (graphical user interface)

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 openbabel GUI based on wxWidgets.

Tags: User Interface: Graphical User Interface, X Window Systeem, Role: role::program, uitoolkit::wxwidgets, X Window Systeem: Application

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Pakket downloaden voor alle beschikbare platforms
Platform Pakketgrootte Geïnstalleerde grootte Bestanden
amd64 94,7 kB389,0 kB [overzicht]
arm64 86,0 kB360,0 kB [overzicht]
armel 81,1 kB266,0 kB [overzicht]
armhf 82,2 kB234,0 kB [overzicht]
i386 97,2 kB314,0 kB [overzicht]
mips64el 85,3 kB375,0 kB [overzicht]
mipsel 85,9 kB328,0 kB [overzicht]
ppc64el 92,1 kB429,0 kB [overzicht]
s390x 85,7 kB357,0 kB [overzicht]