Пакет: openbabel-gui (3.1.1+dfsg-9) [debports]

[ Източник:  ]

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.

Други пакети, свързани с openbabel-gui

• dep: libc6.1 (>= 2.36)

  GNU C Library: Shared libraries
  също и виртуален пакет, предлаган от libc6.1-udeb

• dep: libgcc-s1 (>= 4.2)

  GCC support library

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: libunwind8

  library to determine the call-chain of a program - runtime

• dep: libwxbase3.2-1 (>= 3.2.2+dfsg)

  wxBase library (runtime) - non-GUI support classes of wxWidgets toolkit

• dep: libwxgtk3.2-1 (>= 3.2.1+dfsg-2)

  wxWidgets Cross-platform C++ GUI toolkit (GTK 3 runtime)

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
ia64 (неофициална архитектура)	95,7 кБ	501,0 кБ	[списък на файловете]