PDB2PQR 1.1.2 (2006-06)

Bug fixes

  • Fixed a bug in the hydrogen bonding routines where PDB2PQR attempted to delete an atom that had already been deleted. (thanks to Rachel Burdge)
  • Fixed a bug in chain detection routines where PDB2PQR was unable to detect multiple chains inside a single unnamed chain (thanks to Rachel Burdge)
  • Fixed a second bug in chain detection routines where HETATM residues with names ending in “3” were improperly chosen for termini (thanks to Reut Abramovich)
  • Fixed a bug where chains were improperly detected when only containing one HETATM residue (thanks to Reut Abramovich)