软件包：libchemistry-openbabel-perl（2.4.1+dfsg-3）

[ 源代码： openbabel  ]

Chemical toolbox library (perl 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 Chemistry::Openbabel, the Perl binding for Open Babel.

标签: 软件开发: Perl 开发, 函数库, 实做语言: implemented-in::c, implemented-in::perl, 角色: 开发用函数库

其他与 libchemistry-openbabel-perl 有关的软件包

• dep: libc6 (>= 2.14)

  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: libgcc1 (>= 1:3.0)

  GCC 支持库

• dep: libgomp1 (>= 4.2.1)

  GCC OpenMP（GOMP）支持库

• dep: libopenbabel5

  Chemical toolbox library

• dep: libperl5.28 (>= 5.28.0)

  shared Perl library

• dep: libstdc++6 (>= 5.2)

  GNU 标准 C++ 库，第3版

• dep: perl (>= 5.28.0-3)

  拉里 沃尔的实用报表提取语言(Perl)

• dep: perlapi-5.28.0

  本虚包由这些包填实： perl-base

• dep: zlib1g (>= 1:1.1.4)

  压缩库 - 运行时

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