Bio Signal Hub

ElectrostaticSurf

Runs PDB2PQR and APBS to compute electrostatic surface potential and maps it onto the 3D structure. A simplified residue charge model is available as a fallback.

The PDB2PQR and APBS server API is unstable

The upstream API is changing, so connections may fail. That is a limitation of the server, not of this tool.

If APBS fails, the tool falls back to a simplified electrostatic model based on residue charges: ARG and LYS positive, ASP and GLU negative. It is less accurate and returns immediately.

Use simplified mode to skip the APBS attempt altogether. For production work, install APBS locally or run the browser with a CORS extension; CORS_SETUP.md has the details.

PDB input

APBS parameters

Charge assignment method.
Solution pH.
Ionic strength.

Results

Upload a PDB file and start a calculation.

Computation runs on the PDB2PQR and APBS server.