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FREE
License
PAID
Version
PDB2PQR 1.8
LatestUpdate
Last updated
OS
Language
EN
PDB2PQR is designed as a Python-based application that automates many of the common tasks of preparing structures for continuum electrostatics calculations.
PDB2PQR is a platform-independent utility for converting protein files in PDB format to PQR format.
The tasks provided include: · Adding a limited number of missing heavy atoms to biomolecular structures, · Determining side-chain pKas, · Placing missing hydrogens, · Optimizing the protein for favorable hydrogen bonding, · Assigning charge and radius parameters from a variety of force fields.
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