openbabel

Not Rated
Description
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.
Available deb Repositories (how-to add a respository)
Debian 32-bit 64-bit
sarge 1.100.2-2
etch 2.0.2-1 2.0.2-1
lenny 2.1.1-2
sid 2.1.1-4 2.1.1-4
experimental 2.2.0~beta4~r2299-1 2.2.0~beta4~r2299-1

Ubuntu 32-bit 64-bit
dapper 1.100.2-4 1.100.2-4
edgy 2.0.2-1 2.0.2-1
feisty 2.0.2-1 2.0.2-1
gutsy 2.1.1-0ubuntu2 2.1.1-0ubuntu2
hardy 2.1.1-4 2.1.1-4

InstallInstall Now (what is this?)
Available rpm Repositories
PCLinuxOS 32-bit
2007 2.1.1-1pclos2007

Rating: Not Rated (0 votes)


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