v 2.1.1

automate 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.


To install pdb2pqr, paste this in macOS terminal after installing MacPorts

sudo port install pdb2pqr

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