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[ Source: openbabel  ]

Package: openbabel (2.0.2-1)

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Convert and manipulate chemical data files

Openbabel is a GPL and C++ rewrite of the 'babel' program to convert the various file formats used in chemical software. The command-line interface is mostly identical to the old 'babel' executable and recognizes these file formats among many others:

Alchemy, ChemDraw, CML, GAMESS, Gaussian, HyperChem, MDL Isis and Molfile, MOPAC, MPQC, PDB, SMILES and XYZ.

Right now, openbabel is not a 100% replacement for babel as some file formats and bond order prediction is not yet fully supported.

Tags: Field: Chemistry, Implemented in: C++, User Interface: Command Line, Role: Program, Scope: Utility, Purpose: Data Conversion

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Download openbabel

Download for all available architectures
Architecture Package Size Installed Size Files
alpha 177.1 kB556.0 kB [list of files]
amd64 174.1 kB532.0 kB [list of files]
arm 172.3 kB424.0 kB [list of files]
hppa 175.5 kB528.0 kB [list of files]
i386 172.4 kB520.0 kB [list of files]
ia64 186.0 kB600.0 kB [list of files]
mips 172.5 kB544.0 kB [list of files]
mipsel 172.4 kB544.0 kB [list of files]
powerpc 177.7 kB540.0 kB [list of files]
s390 171.1 kB520.0 kB [list of files]
sparc 170.5 kB520.0 kB [list of files]