PDB2PQR 1.0.0 (2005-08)ΒΆ

This is the initial version of the PDB2PQR conversion utility. There are several changes to the various “non-official” versions previously available:

  • SourceForge has been chosen as a centralized location for all things related to PDB2PQR, including downloads, mailing lists, and bug reports.
  • Several additions to the code have been made, including pKa support via PropKa, a new hydrogen optimization algorithm which should increase both accuracy and speed, and general bug fixes.