- libc6 (>= 2.34)
- libcairo2 (>= 1.2.4)
- libgcc-s1 (>= 3.0)
- libgomp1 (>= 4.9)
- libinchi1 (>= 1.03+dfsg)
- libmaeparser1 (>= 1.3.0)
- libstdc++6 (>= 11)
- libxml2 (>= 2.7.4)
- zlib1g (>= 1:1.1.4)
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 shared library.
Installed Size: 18.9 MB
Architectures: amd64 arm64