Currently using PDB2PQR Version 2.0.0
Return to the PDB2PQR homepage.
This server enables a user to convert PDB files into PQR files. PQR files are PDB files where the occupancy and B-factor columns have been replaced by per-atom charge and radius.
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]
Note: This server uses automatic refreshing to update the status of your PDB2PQR submission.
The PDB2PQR application and web server was written by:
Jens Erik NielsenPDB2PQR Opal integration by:
Wes GoodmanJMol visualization scripts and applets provided by: National Biomedical Computation Resource.
Before sending a bug report you may want to check the pdb2pqr-users mailing list archives to make sure your question has not already been addressed.
For additional support, feature requests, and bug reports you may contact the pdb2pqr-users mailing list.