Het bronpakket openbabel downloaden:
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows 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 shared library.
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| Platform | Versie | Pakketgrootte | Geïnstalleerde grootte | Bestanden |
|---|---|---|---|---|
| alpha | 2.2.3-1 | 3.120,2 kB | 9448 kB | [overzicht] |
| amd64 | 2.2.3-1 | 2.844,3 kB | 8224 kB | [overzicht] |
| armel | 2.2.3-1+b1 | 2.684,3 kB | 7396 kB | [overzicht] |
| hppa | 2.2.3-1 | 3.184,4 kB | 8576 kB | [overzicht] |
| hurd-i386 | 2.2.3-1 | 2.688,0 kB | 7536 kB | [overzicht] |
| i386 | 2.2.3-1 | 2.743,7 kB | 7628 kB | [overzicht] |
| ia64 | 2.2.3-1+b1 | 3.778,9 kB | 12552 kB | [overzicht] |
| kfreebsd-amd64 | 2.2.3-1 | 2.836,9 kB | 8020 kB | [overzicht] |
| kfreebsd-i386 | 2.2.3-1 | 2.742,9 kB | 7460 kB | [overzicht] |
| m68k (unofficial port) | 2.2.1-1 | 2.701,2 kB | 7332 kB | [overzicht] |
| mips | 2.2.3-1 | 2.758,3 kB | 8724 kB | [overzicht] |
| mipsel | 2.2.3-1 | 2.745,8 kB | 8724 kB | [overzicht] |
| powerpc | 2.2.3-1 | 3.074,6 kB | 8596 kB | [overzicht] |
| s390 | 2.2.3-1 | 2.831,0 kB | 7908 kB | [overzicht] |
| sparc | 2.2.3-1 | 2.803,3 kB | 7928 kB | [overzicht] |