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[ Source: openbabel  ]

Package: openbabel-gui (2.3.2+dfsg-2)

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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: Field: Chemistry, User Interface: X Window System, Role: Program, Interface Toolkit: uitoolkit::wxwidgets, x11::application

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Download openbabel-gui

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 234.7 kB478.0 kB [list of files]
armel 227.1 kB418.0 kB [list of files]
armhf 227.2 kB390.0 kB [list of files]
i386 235.7 kB410.0 kB [list of files]