套件：libopenbabel7（3.1.1+dfsg-11 以及其他的）

[ 原始碼： openbabel  ]

Chemical toolbox library

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 shared library.

標籤: 角色: 共用函式庫

其他與 libopenbabel7 有關的套件

• dep: libc6 (>= 2.38)

  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: libcairo2 (>= 1.2.4)

  Cairo 2D vector graphics library

• dep: libgcc-s1 (>= 3.0) [arm64, ppc64el, s390x]

  GCC 支援函式庫

  dep: libgcc-s1 (>= 3.4) [amd64, i386, mips64el, riscv64]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libinchi1.07 (>= 1.07.1+dfsg)

  International Chemical Identifier (InChI) algorithm (library)

• dep: libmaeparser1 (>= 1.3.1)

  parser for Schrödinger Maestro files

• dep: libstdc++6 (>= 13.1)

  GNU Standard C++ Library v3

• dep: libxml2 (>= 2.7.4)

  GNOME XML library

• dep: zlib1g (>= 1:1.1.4)

  壓縮函式庫 - 跑程式時用(runtime)

下載 libopenbabel7

下載可用於所有硬體架構的

硬體架構	版本	套件大小	安裝後大小	檔案
amd64	3.1.1+dfsg-11+b1	3，174。8 kB	15，254。0 kB	[檔案列表]
arm64	3.1.1+dfsg-11+b1	2，929。8 kB	18，626。0 kB	[檔案列表]
armel	3.1.1+dfsg-11+b1	2，846。7 kB	13，295。0 kB	[檔案列表]
armhf	3.1.1+dfsg-11+b1	2，877。3 kB	11，510。0 kB	[檔案列表]
i386	3.1.1+dfsg-11+b1	3，293。0 kB	14，857。0 kB	[檔案列表]
mips64el	3.1.1+dfsg-11+b1	2，895。8 kB	19，889。0 kB	[檔案列表]
ppc64el	3.1.1+dfsg-11+b1	3，256。9 kB	20，029。0 kB	[檔案列表]
riscv64	3.1.1+dfsg-11+b1	3，080。1 kB	12，856。0 kB	[檔案列表]
s390x	3.1.1+dfsg-11+b1	3，144。3 kB	14，893。0 kB	[檔案列表]