套件：libchemistry-openbabel-perl（2.4.1+dfsg-3）

[ 原始碼： 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.

標籤: 軟體開發: Perl 開發, 函式庫, 實做語言: implemented-in::c, implemented-in::perl, 角色: 開發用函式庫

其他與 libchemistry-openbabel-perl 有關的套件

• dep: libc6 (>= 2.14)

  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

• dep: libgcc1 (>= 1:3.0)

  GCC 支援函式庫

• dep: libgomp1 (>= 4.2.1)

  GCC OpenMP (GOMP) support library

• dep: libopenbabel5

  Chemical toolbox library

• dep: libperl5.28 (>= 5.28.0)

  shared Perl library

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: perl (>= 5.28.0-3)

  Larry Wall's Practical Extraction and Report Language

• dep: perlapi-5.28.0

  本虛擬套件由這些套件填實： perl-base

• dep: zlib1g (>= 1:1.1.4)

  壓縮函式庫 - 跑程式時用(runtime)

下載 libchemistry-openbabel-perl

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硬體架構	套件大小	安裝後大小	檔案
amd64	696。6 kB	4，282。0 kB	[檔案列表]