[ Bron: openbabel ]
Pakket: libopenbabel-doc (3.1.1+dfsg-6)
Verwijzigingen voor libopenbabel-doc
Debian bronnen:
Het bronpakket openbabel downloaden:
- [openbabel_3.1.1+dfsg-6.dsc]
- [openbabel_3.1.1+dfsg.orig.tar.xz]
- [openbabel_3.1.1+dfsg-6.debian.tar.xz]
Beheerders:
- Debichem Team (QA-pagina, Mailarchief)
- Michael Banck (QA-pagina)
- Daniel Leidert (QA-pagina)
- Andrius Merkys (QA-pagina)
Externe bronnen:
- Homepage [openbabel.sourceforge.net]
Vergelijkbare pakketten:
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.
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