Paket: openbabel-gui (3.1.1+dfsg-11) [debports]

[ Quellcode:  ]

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.

Andere Pakete mit Bezug zu openbabel-gui

• dep: libc6 (>= 2.40)

  GNU-C-Bibliothek: Laufzeitbibliotheken
  auch ein virtuelles Paket, bereitgestellt durch libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC Support-Bibliothek

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libstdc++6 (>= 13.1)

  GNU-Implementierung der Standard-C++-Bibliothek (Version 3)

• dep: libwxbase3.2-1t64 (>= 3.2.6+dfsg)

  wxBase-Bibliothek (Laufzeit) - nicht-GUI-Hilfsklassen der wxWidgets

• dep: libwxgtk3.2-1t64 (>= 3.2.6+dfsg)

  Plattformübergreifender C++-GUI-Werkzeugsatz (GTK+3-Laufzeit)

openbabel-gui herunterladen

Download für alle verfügbaren Architekturen

Architektur	Paketgröße	Größe (installiert)	Dateien
sh4 (inoffizielle Portierung)	101,8 kB	357,0 kB	[Liste der Dateien]