eLxr packages [ aria ]
[ ソース: openbabel ]
パッケージ: python3-openbabel (3.1.1+dfsg-9 など)
python3-openbabel に関するリンク
openbabel ソースパッケージをダウンロード:
- [openbabel_3.1.1+dfsg-9.debian.tar.xz]
- [openbabel_3.1.1+dfsg-9.dsc]
- [openbabel_3.1.1+dfsg.orig.tar.xz]
メンテナ:
外部の資源:
- ホームページ [openbabel.sourceforge.net]
類似のパッケージ:
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.
その他の python3-openbabel 関連パッケージ
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- dep: libc6 (>= 2.32)
- GNU C Library: Shared libraries
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
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- dep: libgcc-s1 (>= 3.0) [arm64]
- GCC support library
- dep: libgcc-s1 (>= 3.4) [amd64]
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- dep: libopenbabel7 (>= 3.1.1+dfsg)
- Chemical toolbox library
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- dep: libpython3.11 (>= 3.11.0)
- Shared Python runtime library (version 3.11)
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- dep: libstdc++6 (>= 11)
- 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~)