- python (<< 2.8)
- python (>= 2.7~)
- python:any (<< 2.8)
- python:any (>= 2.7~)
- libc6 (>= 2.17)
- libgcc1 (>= 1:3.0)
- libgomp1 (>= 4.2.1)
- libopenbabel5
- libpython2.7 (>= 2.7)
- libstdc++6 (>= 5.2)
- 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 Python binding.
Installed Size: 4.3 MB
Architectures: arm64 amd64