openbabel binary package in Ubuntu Jammy 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:
  * 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

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2022-03-02 17:45:17 UTC Published Ubuntu Jammy amd64 release universe science Optional 3.1.1+dfsg-6ubuntu5
  • Published
  • Copied from ubuntu jammy-proposed amd64 in Primary Archive for Ubuntu
  Deleted Ubuntu Jammy amd64 proposed universe science Optional 3.1.1+dfsg-6ubuntu5
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to jammy

  • Published
  2022-02-07 08:54:39 UTC Superseded Ubuntu Jammy amd64 proposed universe science Optional 3.1.1+dfsg-6ubuntu4
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of openbabel 3.1.1+dfsg-6ubuntu5 in ubuntu jammy PROPOSED
  • Published
  2022-01-18 08:28:53 UTC Superseded Ubuntu Jammy amd64 proposed universe science Optional 3.1.1+dfsg-6ubuntu3
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of openbabel 3.1.1+dfsg-6ubuntu4 in ubuntu jammy PROPOSED
  • Published
  2022-01-17 20:49:16 UTC Superseded Ubuntu Jammy amd64 proposed universe science Optional 3.1.1+dfsg-6ubuntu2
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of openbabel 3.1.1+dfsg-6ubuntu3 in ubuntu jammy PROPOSED
  • Published
  2022-03-02 18:00:59 UTC Superseded Ubuntu Jammy amd64 release universe science Optional 3.1.1+dfsg-6ubuntu1
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of openbabel 3.1.1+dfsg-6ubuntu5 in ubuntu jammy PROPOSED
  • Published
  • Copied from ubuntu impish-proposed amd64 in Primary Archive for Ubuntu