openbabel binary package in Ubuntu Focal s390x

 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
  2020-03-14 01:53:25 UTC Published Ubuntu Focal s390x release universe science Optional 3.0.0+dfsg-3ubuntu3
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  Deleted Ubuntu Focal s390x proposed universe science Optional 3.0.0+dfsg-3ubuntu3
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-03-11 13:13:38 UTC Superseded Ubuntu Focal s390x proposed universe science Optional 3.0.0+dfsg-3ubuntu2
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 3.0.0+dfsg-3ubuntu3 in ubuntu focal PROPOSED
  • Published
  2020-03-11 07:44:03 UTC Superseded Ubuntu Focal s390x proposed universe science Optional 3.0.0+dfsg-3ubuntu1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 3.0.0+dfsg-3ubuntu2 in ubuntu focal PROPOSED
  • Published
  2020-03-14 01:56:06 UTC Superseded Ubuntu Focal s390x release universe science Optional 3.0.0+dfsg-3
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 3.0.0+dfsg-3ubuntu3 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2020-03-15 06:10:10 UTC Deleted Ubuntu Focal s390x proposed universe science Optional 3.0.0+dfsg-3
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-01-28 20:43:27 UTC Superseded Ubuntu Focal s390x proposed universe science Optional 3.0.0+dfsg-2build1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 3.0.0+dfsg-3 in ubuntu focal PROPOSED
  • Published
  2020-01-25 13:53:19 UTC Superseded Ubuntu Focal s390x proposed universe science Optional 3.0.0+dfsg-2
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 3.0.0+dfsg-2build1 in ubuntu focal PROPOSED
  • Published
  2020-02-13 14:03:11 UTC Superseded Ubuntu Focal s390x release universe science Optional 2.4.1+dfsg-6
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 3.0.0+dfsg-3 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2020-02-14 18:10:13 UTC Deleted Ubuntu Focal s390x proposed universe science Optional 2.4.1+dfsg-6
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2019-11-18 14:18:19 UTC Superseded Ubuntu Focal s390x release universe science Optional 2.4.1+dfsg-5.1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 2.4.1+dfsg-6 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2019-11-19 18:10:14 UTC Deleted Ubuntu Focal s390x proposed universe science Optional 2.4.1+dfsg-5.1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2019-11-03 19:38:20 UTC Superseded Ubuntu Focal s390x release universe science Optional 2.4.1+dfsg-3build1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 2.4.1+dfsg-5.1 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2019-11-05 00:10:09 UTC Deleted Ubuntu Focal s390x proposed universe science Optional 2.4.1+dfsg-3build1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2019-10-24 17:28:36 UTC Superseded Ubuntu Focal s390x release universe science Optional 2.4.1+dfsg-3
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of openbabel 2.4.1+dfsg-3build1 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu disco-proposed s390x in Primary Archive for Ubuntu