Paket: libopenbabel-dev (3.1.1+dfsg-11 och andra) [debports]

[ Källkod:  ]

Chemical toolbox library (development files)

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 static library and the header files.

Andra paket besläktade med libopenbabel-dev

• dep: libopenbabel7 (= 3.1.1+dfsg-11+b2)

  Chemical toolbox library

• sug: libopenbabel-doc

  Chemical toolbox library (documentation)

Hämta libopenbabel-dev

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
hppa (inofficiell anpassning)	3.1.1+dfsg-11+b2	175,9 kbyte	955,0 kbyte	[filförteckning]