Description

Convert PDB files to PQR format by assigning charge and radius parameters for electrostatics calculations (e.g. APBS input preparation).

Input

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Output

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Tools

pdb2pqr Documentation

PDB2PQR converts protein structure files in PDB format to PQR format by assigning atomic charges and radii. It is commonly used to prepare structures for electrostatics calculations with APBS.

https://github.com/Electrostatics/pdb2pqrdoi: 10.1002/pro.3280License: Custom
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