套件：python3-openbabel（3.1.1+dfsg-9 以及其他的） [debports]
Chemical toolbox library (Python bindings)
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 Python binding.
其他與 python3-openbabel 有關的套件
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- dep: libc6 (>= 2.32)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libgcc-s2 (>= 4.2.1)
- GCC 支援函式庫
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- dep: libopenbabel7 (>= 3.1.1+dfsg)
- Chemical toolbox library
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- dep: libpython3.11 (>= 3.11.5)
- Shared Python runtime library (version 3.11)
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- dep: libstdc++6 (>= 13.1)
- GNU Standard C++ Library v3
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.12)
- dep: python3 (>= 3.11~)