[ etiona ]
[ 源代码: openbabel ]
软件包: python-openbabel (2.3.2+dfsg-3build1)
python-openbabel 的相关链接
Trisquel 的资源:
下载源码包 openbabel:
- [openbabel_2.3.2+dfsg-3build1.dsc]
- [openbabel_2.3.2+dfsg.orig.tar.gz]
- [openbabel_2.3.2+dfsg-3build1.debian.tar.xz]
维护者:
Original Maintainers:
- Debichem Team (Mail Archive)
- Michael Banck
- Daniel Leidert
外部的资源:
- 主页 [openbabel.sourceforge.net]
相似软件包:
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.
其他与 python-openbabel 有关的软件包
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- dep: libc6 (>= 2.4)
- GNU C Library: Shared libraries
同时作为一个虚包由这些包填实: libc6-udeb
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- dep: libgcc1 (>= 1:3.4)
- GCC support library
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- dep: libopenbabel4v5
- Chemical toolbox library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- dep: python
- interactive high-level object-oriented language (default version)
- dep: python (<< 2.8)
- dep: python (>= 2.7)