packmol binary package in Ubuntu Focal amd64

 Initial configurations for Molecular Dynamics Simulations by packing
 optimization.
 .
 Packmol creates an initial point for molecular dynamics simulations by
 packing molecules in defined regions of space. The packing guarantees
 that short range repulsive interactions do not disrupt the
 simulations.
 .
 The great variety of types of spatial constraints that can be
 attributed to the molecules, or atoms within the molecules, makes it
 easy to create ordered systems, such as lamellar, spherical or tubular
 lipid layers.
 .
 The user must provide only the coordinates of one molecule of each
 type, the number of molecules of each type and the spatial constraints
 that each type of molecule must satisfy.
 .
 The package is compatible with input files of PDB, TINKER, XYZ and
 MOLDY formats.
 .
 See http://m3g.iqm.unicamp.br/packmol for more information.
 .
 References
 .
 Please always cite one of the following references in publications for
 which Packmol was useful:
 .
 L Martinez, R Andrade, EG Birgin, JM Martinez, Packmol: A package for
 building initial configurations for molecular dynamics simulations.
 Journal of Computational Chemistry, 30, 2157-2164, 2009.
 (http://www3.interscience.wiley.com/journal/122210103/abstract)
 .
 JM Martinez, L Martinez, Packing optimization for the automated
 generation of complex system's initial configurations for molecular
 dynamics and docking. Journal of Computational Chemistry, 24, 819-825,
 2003. (http://www3.interscience.wiley.com/journal/104086246/abstract)

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2020-03-23 13:23:14 UTC Published Ubuntu Focal amd64 release universe science Optional 20.010-1build1
  • Published
  • Copied from ubuntu focal-proposed amd64 in Primary Archive for Ubuntu
  Deleted Ubuntu Focal amd64 proposed universe science Optional 20.010-1build1
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-03-23 13:24:13 UTC Superseded Ubuntu Focal amd64 release universe science Optional 20.010-1
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of packmol 20.010-1build1 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed amd64 in Primary Archive for Ubuntu
  2020-03-24 18:10:10 UTC Deleted Ubuntu Focal amd64 proposed universe science Optional 20.010-1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-01-20 13:13:41 UTC Superseded Ubuntu Focal amd64 release universe science Optional 18.169-2
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of packmol 20.010-1 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed amd64 in Primary Archive for Ubuntu
  2020-01-21 18:10:14 UTC Deleted Ubuntu Focal amd64 proposed universe science Optional 18.169-2
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2019-11-16 18:43:20 UTC Superseded Ubuntu Focal amd64 release universe science Optional 18.169-1
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of packmol 18.169-2 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed amd64 in Primary Archive for Ubuntu
  2019-11-17 18:10:10 UTC Deleted Ubuntu Focal amd64 proposed universe science Optional 18.169-1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published

Source package