pdb2pqr binary package in Ubuntu Trusty i386

 PDB2PQR is a Python software package that automates many of the common
 tasks of preparing structures for continuum electrostatics calculations.
 It thus provides a platform-independent utility for converting protein files
 in PDB format to PQR format. These tasks include:
  * Adding a limited number of missing heavy atoms to biomolecular structures
  * Determining side-chain pKas
  * Placing missing hydrogens
  * Optimizing the protein for favorable hydrogen bonding
  * Assigning charge and radius parameters from a variety of force fields
 .
 This package also includes PropKa, a tool to modify the protonation state of
 protein structures in the Protein Data Bank (PDB) format to match a given pKa
 value. It can also be used to refine NMR structures, which often yield
 inaccurate pKa values for some residues.

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2013-10-25 07:08:27 UTC Published Ubuntu Trusty i386 release universe science Optional 1.8+dfsg-1
  • Published
  • Copied from ubuntu trusty-proposed i386 in Primary Archive for Ubuntu
  Deleted Ubuntu Trusty i386 proposed universe science Optional 1.8+dfsg-1
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2013-10-25 07:09:16 UTC Superseded Ubuntu Trusty i386 release universe science Optional 1.8-1
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of pdb2pqr 1.8+dfsg-1 in ubuntu trusty PROPOSED
  • Published
  • Copied from ubuntu quantal-release i386 in Primary Archive for Ubuntu

Source package