poisson_boltzmann_view
Computes and visualizes true Poisson-Boltzmann electrostatic potential by running PDB2PQR and APBS, then colors the molecular surface red-white-blue over ±20 kT/e for charge analysis.
Instructions
Colors the molecular surface by true Poisson-Boltzmann electrostatic potential.
Runs PDB2PQR (AMBER force field, pH 7.0) then APBS to compute the full electrostatic potential map. Surface is colored red→white→blue over the range ±20 kT/e. A white cartoon is shown beneath a semi-transparent surface. Organic ligands shown as sticks with yellow carbons.
Requires APBS and PDB2PQR to be installed on the system: brew install brewsci/bio/apbs pip install pdb2pqr
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| obj_name | Yes | PyMOL object name (e.g. "1abc") |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |