deb_control_files:
- control
- md5sums
deb_fields:
Architecture: arm64
Depends: libc6 (>= 2.38), libgcc-s1 (>= 3.0), libopenbabel7 (>= 3.1.1+dfsg), libstdc++6
(>= 13.1)
Description: |-
Chemical toolbox utilities (cli)
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 includes the following utilities:
* obabel: Convert between various chemical file formats
* obenergy: Calculate the energy for a molecule
* obminimize: Optimize the geometry, minimize the energy for a molecule
* obgrep: Molecular search program using SMARTS pattern
* obgen: Generate 3D coordinates for a molecule
* obprop: Print standard molecular properties
* obfit: Superimpose two molecules based on a pattern
* obrotamer: Generate conformer/rotamer coordinates
* obconformer: Generate low-energy conformers
* obchiral: Print molecular chirality information
* obrotate: Rotate dihedral angle of molecules in batch mode
* obprobe: Create electrostatic probe grid
Homepage: https://openbabel.org
Installed-Size: '1389'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: openbabel
Priority: optional
Section: science
Source: openbabel (3.1.1+dfsg-11)
Version: 3.1.1+dfsg-11+b1
srcpkg_name: openbabel
srcpkg_version: 3.1.1+dfsg-11