Currently using PDB2PQR Version 2.1.1
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 PQR files are PDB files where the occupancy and B-factor columns have been replaced by per-atom charge and radius.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:
- Home Page Register (and help suport PDB2PQR & APBS)
- User Guide
- Release Notes If you use the PDB2PQR service in a publication, please cite:
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: In order to distribute server load, the PDB2PQR server currently is limited to a maximum size of 10000 atoms per protein. If you are interested in using PDB2PQR for larger proteins, you are encouraged to download a command line version of PDB2PQR from the PDB2PQR download page. For additional limitations, please see the PDB2PQR user guide
Note: This server uses automatic refreshing to update the status of your PDB2PQR submission. Do not use the back button on your browser while the server is running.
The PDB2PQR application and web server was written by:
Jens Erik NielsenPDB2PQR Opal integration by:
Wes Goodman3dMol visualization 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.
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