Nathan Baker

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.

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PDB2PQR command line interface
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The PDB2PQR server in progress
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Results from the PDB2PQR server

Project Admins:


  • Kyle Monson
    Kyle Monson

    Bin Tu,

    The appropriate place to ask for help is on the mailing list at


    Post your question there and I'll reply to it on that forum. After you have sent your message I will delete these comments.