软件包：openbabel-gui（3.1.1+dfsg-11 以及其他的） [debports]
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.
其他与 openbabel-gui 有关的软件包
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- dep: libc6 (>= 2.34)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb
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- dep: libgcc-s4 (>= 4.1.1)
- GCC 支持库
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- dep: libopenbabel7 (>= 3.1.1+dfsg)
- Chemical toolbox library
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- dep: libstdc++6 (>= 13.1)
- GNU 标准 C++ 库，第3版
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- dep: libwxbase3.2-1t64 (>= 3.2.6+dfsg)
- wxBase library (runtime) - non-GUI support classes of wxWidgets toolkit
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- dep: libwxgtk3.2-1t64 (>= 3.2.6+dfsg)
- wxWidgets Cross-platform C++ GUI toolkit (GTK 3 runtime)