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Entwicklerinformationen
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| libopenbabel-dev | Convert and manipulate chemical data files (development version) | Mehr ... |
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:
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Alchemy, ChemDraw, CML, GAMESS, Gaussian, HyperChem, MDL Isis and Molfile,
MOPAC, MPQC, PDB, SMILES and XYZ.
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This package contains the static library and the header files. |
| libopenbabel3 | Convert and manipulate chemical data files | Mehr ... |
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.
.
This package contains the shared library. |
| openbabel | Convert and manipulate chemical data files | Mehr ... |
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. |
| python-openbabel | Convert and manipulate chemical data files (Python binding) | Mehr ... |
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.
.
This package contains the Python binding. |
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