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.
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, run the following command in macOS terminal (Applications->Utilities->Terminal)
sudo port install pdb2pqr
To see what files were installed by pdb2pqr, run:
port contents pdb2pqr
To later upgrade pdb2pqr, run:
sudo port selfupdate && sudo port upgrade pdb2pqr
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