Package: openbabel
Version: 3.1.1+dfsg-14ubuntu2
Architecture: amd64
Architecture-Variant: amd64v3
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Installed-Size: 614
Depends: libc6 (>= 2.38), libgcc-s1 (>= 3.3.1), libopenbabel7 (>= 3.1.1+dfsg), libstdc++6 (>= 13.1)
Section: science
Priority: optional
Homepage: https://openbabel.org
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
Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
