Currently using PDB2PQR Version 1.8
Return to the PDB2PQR homepage.
pKa calculations are performed by PROPKA.
For more information on PDB2PQR please see the:
Dolinsky TJ, Nielsen JE, McCammon JA, Baker NA. PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations. Nucleic Acids Research 32 W665-W667 (2004). [Link]
Jens Erik NielsenPDB2PQR Opal integration by:
Wes GoodmanJMol visualization scripts and applets provided by:
Robert HansonPDB2PQR is supported by NIH grant GM069702-01 to NAB, the NPACI Alpha Project program, and the National Biomedical Computation Resource.
Before sending a bug report you may want to check the pdb2pqr-users mailing list archives or the existing PDB2PQR SourceForge Bug List to make sure your question has not already been addressed. Otherwise please post all bug reports or feature requests to the appropriate PDB2PQR SourceForge Tracker.
For additional support you may contact the pdb2pqr-users mailing list.