Imuroi lähdekoodipaketti openbabel:
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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| Arkkitehtuuri | Versio | Paketin koko | Koko asennettuna | Tiedostot |
|---|---|---|---|---|
| alpha | 2.2.3-1 | 3,120.2 kt | 9448 kt | [tiedostoluettelo] |
| amd64 | 2.2.3-1 | 2,844.3 kt | 8224 kt | [tiedostoluettelo] |
| armel | 2.2.3-1+b1 | 2,684.3 kt | 7396 kt | [tiedostoluettelo] |
| hppa | 2.2.3-1 | 3,184.4 kt | 8576 kt | [tiedostoluettelo] |
| hurd-i386 | 2.2.3-1 | 2,688.0 kt | 7536 kt | [tiedostoluettelo] |
| i386 | 2.2.3-1 | 2,743.7 kt | 7628 kt | [tiedostoluettelo] |
| ia64 | 2.2.3-1+b1 | 3,778.9 kt | 12552 kt | [tiedostoluettelo] |
| kfreebsd-amd64 | 2.2.3-1 | 2,836.9 kt | 8020 kt | [tiedostoluettelo] |
| kfreebsd-i386 | 2.2.3-1 | 2,742.9 kt | 7460 kt | [tiedostoluettelo] |
| m68k (epävirallinen siirros) | 2.2.1-1 | 2,701.2 kt | 7332 kt | [tiedostoluettelo] |
| mips | 2.2.3-1 | 2,758.3 kt | 8724 kt | [tiedostoluettelo] |
| mipsel | 2.2.3-1 | 2,745.8 kt | 8724 kt | [tiedostoluettelo] |
| powerpc | 2.2.3-1 | 3,074.6 kt | 8596 kt | [tiedostoluettelo] |
| s390 | 2.2.3-1 | 2,831.0 kt | 7908 kt | [tiedostoluettelo] |
| sparc | 2.2.3-1 | 2,803.3 kt | 7928 kt | [tiedostoluettelo] |