Paket: libopenbabel-doc (3.1.1+dfsg-11)

[ Kaynak: openbabel  ]

Chemical toolbox library (documentation)

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 library documentation.

Etiketler: Yazılım Geliştirme: Belgelendirme, Rol: Belgelendirme

libopenbabel-doc ile İlgili Diğer Paketler

• dep: libjs-jquery

  JavaScript library for dynamic web applications

libopenbabel-doc indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
all	5.477,9 kB	25.752,0 kB	[dosya listesi]