API Reference

The pdb2pqr30 command provides a command-line interface to PDB2PQR’s functionality. It is built on classes and functions in the pdb2pqr module. The API of pdb2pqr is documented here for developers who might want to directly use the PDB2PQR code.


The API is still changing and there is currently no guarantee that it will remain stable between minor releases.

Forcefield support modules

Molecular structure modules

I/O modules

Other modules