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[ Source: openbabel  ]

Package: openbabel-gui (2.4.1+dfsg-3)

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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 System, Role: role::program, uitoolkit::wxwidgets, X Window System: Application

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Download openbabel-gui

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 97.1 kB399.0 kB [list of files]
arm64 88.7 kB366.0 kB [list of files]
armhf 84.4 kB240.0 kB [list of files]
i386 99.0 kB320.0 kB [list of files]