PDB2PQR An automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations. PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations, providing a platform-independent utility for converting protein files in PDB format to PQR format. See more on pdb2pqr home website
Acknowledgment: This work was made possible in part by software from and NIH grant GM069702 to Nathan Baker.
Please acknowledge the use of NBCR software: "This project was supported by grants from the National Center for Research Resources (5P41RR008605-19) and the National Institute of General Medical Sciences (8 P41 GM103426-19) from the National Institutes of Health"
PDB2PQR Citation: [plain text]