- python3 (<< 3.13)
- python3 (>= 3.12~)
- python3:any
- libc6 (>= 2.32)
- libgcc-s1 (>= 3.0)
- libopenbabel7 (>= 3.1.1+dfsg)
- libpython3.12t64 (>= 3.12.1)
- libstdc++6 (>= 13.1)
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 Python binding.
Installed Size: 3.7 MB
Architectures: amd64 arm64