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[ 原始碼: openbabel  ]

套件:openbabel-dbg(2.4.1+dfsg-3)

openbabel-dbg 的相關連結

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Debian 的資源:

下載原始碼套件 openbabel

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Chemical toolbox library (debugging symbols)

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 debugging symbols.

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硬體架構 套件大小 安裝後大小 檔案
armhf 61,096。8 kB65,089。0 kB [檔案列表]