Getting startedΒΆ
This section gives a basic overview of APBS-PDB2PQR workflows. It assumes that you have registered and obtained access to the software as described in How to get the software.
The basic APBS-PDB2PQR workflow involves a few simple steps, illustrated in the figure below and enumerated as:
- Identify your molecular structure for PDB2PQR by specifying a PDB ID or uploading your own structure.
- Use PDB2PQR to specify the titration state of the system, repair missing atoms, and assign parameters (charges and radii) to the atoms of your system.
- Run APBS from within PDB2PQR or via the command line.
- Visualize the results from within PDB2PQR or via Other software.
