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[ 源代码: openbabel  ]

软件包: openbabel (2.0.2-1)

Convert and manipulate chemical data files

Openbabel is a GPL and C++ rewrite of the 'babel' program to convert the various file formats used in chemical software. The command-line interface is mostly identical to the old 'babel' executable and recognizes these file formats among many others:

Alchemy, ChemDraw, CML, GAMESS, Gaussian, HyperChem, MDL Isis and Molfile, MOPAC, MPQC, PDB, SMILES and XYZ.

Right now, openbabel is not a 100% replacement for babel as some file formats and bond order prediction is not yet fully supported.

标签: Field: Chemistry, Implemented in: C++, User Interface: Command Line, Role: Program, Scope: Utility, Purpose: Data Conversion

其它与 openbabel 有关的软件包

  • 依赖
  • 推荐
  • 建议
  • dep: libc6 (>= 2.3.5-1) [除 alpha, i386, ia64]
    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
    dep: libc6 (>= 2.3.6-6) [i386]
  • dep: libc6.1 (>= 2.3.5-1) [alpha, ia64]
    GNU C 语言运行库：共享库
    同时作为一个虚包由这些包填实: libc6.1-udeb
  • dep: libgcc1 (>= 1:4.1.1-12) [除 hppa]
    GCC支持库
  • dep: libgcc4 (>= 4.1.1-12) [hppa]
    GCC支持库
  • dep: libopenbabel1
    Convert and manipulate chemical data files
  • dep: libstdc++6 (>= 4.1.1-12)
    GNU 标准 C++ 库第三版
  • dep: libunwind7 (>= 0.98.5-6) [ia64]
    用于检测程序中的函数调用链的库 - 运行时
  • dep: zlib1g (>= 1:1.2.1)
    压缩库－运行时
    同时作为一个虚包由这些包填实: zlib1g-udeb

下载 openbabel

下载可用于所有硬件架构的
硬件架构 软件包大小 安装后大小 文件
alpha 177.1 kB556 kB [文件列表]
amd64 174.1 kB532 kB [文件列表]
arm 172.3 kB424 kB [文件列表]
hppa 175.5 kB528 kB [文件列表]
i386 172.4 kB520 kB [文件列表]
ia64 186.0 kB600 kB [文件列表]
mips 172.5 kB544 kB [文件列表]
mipsel 172.4 kB544 kB [文件列表]
powerpc 177.7 kB540 kB [文件列表]
s390 171.1 kB520 kB [文件列表]
sparc 170.5 kB520 kB [文件列表]