openbabel binary package in Ubuntu Xenial amd64

 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:
  * babel: 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

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2016-01-06 17:50:30 UTC Published Ubuntu Xenial amd64 release universe science Optional 2.3.2+dfsg-2.2build1
  • Published
  • Copied from ubuntu xenial-proposed amd64 in Primary Archive for Ubuntu
  Deleted Ubuntu Xenial amd64 proposed universe science Optional 2.3.2+dfsg-2.2build1
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2016-01-06 18:18:25 UTC Superseded Ubuntu Xenial amd64 release universe science Optional 2.3.2+dfsg-2.2
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of openbabel 2.3.2+dfsg-2.2build1 in ubuntu xenial PROPOSED
  • Published
  • Copied from ubuntu wily-proposed amd64 in Primary Archive for Ubuntu