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[ Paquet source : openbabel  ]

Paquet : openbabel (2.0.2-1)

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.

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

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  • dep: libopenbabel1
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  • dep: libstdc++6 (>= 4.1.1-12)
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  • dep: zlib1g (>= 1:1.2.1)
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m68k 171,4 ko472 ko [liste des fichiers]