APBS & PDB2PQR:
Electrostatic and solvation properties from complex molecules.
Use PDB2PQR to add missing atoms as well as assign charge and radius parameters from a variety of force fields.Preparing molecules →
Use PDB2PKA or PROPKA to determine the titration state of proteins at specific pH values.Assigning titration states →
Solve the Poisson-Boltzmann and related equations to calculate solvation energies and electrostatic properties for analysis and visualization.Visualizing molecules →
APBS and PDB2PQR work with a variety of desktop molecular graphics software packages and offer simple visualization capabilities via the web without the need for any additional software.Learn more about molecular visualization →
Please be sure to register your use of APBS and PDB2PQR!