deb_control_files:
- control
- md5sums
- postinst
- prerm
deb_fields:
Architecture: amd64
Depends: python3 (<< 3.13), python3 (>= 3.12~), python3:any, libc6 (>= 2.32), libgcc-s1
(>= 3.4), libopenbabel7 (>= 3.1.1+dfsg), libpython3.12t64 (>= 3.12.1), libstdc++6
(>= 13.1)
Description: |-
Chemical toolbox library (Python bindings)
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.
Homepage: https://openbabel.org
Installed-Size: '3435'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: python3-openbabel
Priority: optional
Section: python
Source: openbabel (3.1.1+dfsg-11)
Version: 3.1.1+dfsg-11+b1
srcpkg_name: openbabel
srcpkg_version: 3.1.1+dfsg-11