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[ 原始碼: openbabel  ]

套件:libopenbabel7(3.1.1+dfsg-9 以及其他的)

libopenbabel7 的相關連結

Screenshot

Debian 的資源:

下載原始碼套件 openbabel

維護小組:

外部的資源:

相似套件:

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.

其他與 libopenbabel7 有關的套件

  • 依賴
  • 推薦
  • 建議
  • 增強

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-9+b3 3,049。7 kB14,952。0 kB [檔案列表]
arm64 3.1.1+dfsg-9+b3 2,837。8 kB18,433。0 kB [檔案列表]
armel 3.1.1+dfsg-9+b3 2,751。1 kB17,620。0 kB [檔案列表]
armhf 3.1.1+dfsg-9+b3 2,761。8 kB15,957。0 kB [檔案列表]
i386 3.1.1+dfsg-9+b3 3,184。3 kB14,726。0 kB [檔案列表]
mips64el 3.1.1+dfsg-9+b3 2,878。4 kB20,044。0 kB [檔案列表]
mipsel 3.1.1+dfsg-9+b3 2,899。6 kB19,198。0 kB [檔案列表]
ppc64el 3.1.1+dfsg-9+b3 3,180。5 kB20,098。0 kB [檔案列表]
s390x 3.1.1+dfsg-9+b3 2,812。1 kB14,678。0 kB [檔案列表]