pdb2pqr binary package in Ubuntu Jammy amd64

 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
  2022-03-02 17:45:17 UTC Published Ubuntu Jammy amd64 release universe science Optional 2.1.1+dfsg-8
  • Published
  • Copied from ubuntu jammy-proposed amd64 in Primary Archive for Ubuntu
  Deleted Ubuntu Jammy amd64 proposed universe science Optional 2.1.1+dfsg-8
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to jammy

  • Published
  2022-02-10 23:34:27 UTC Superseded Ubuntu Jammy amd64 proposed universe science Optional 2.1.1+dfsg-7build2
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of pdb2pqr 2.1.1+dfsg-8 in ubuntu jammy PROPOSED
  • Published
  2022-03-02 18:00:59 UTC Superseded Ubuntu Jammy amd64 release universe science Optional 2.1.1+dfsg-7build1
  • Removed from disk .
  • Removal requested .
  • Superseded by amd64 build of pdb2pqr 2.1.1+dfsg-8 in ubuntu jammy PROPOSED
  • Published
  • Copied from ubuntu hirsute-proposed amd64 in Primary Archive for Ubuntu

Source package