PDB2PQR
jens_nielsen, kglass, kmonson, sobolevnrm, todd_dolinsky, yhuang01
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Description
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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Features
- Web interface to APBS with online visualization
- Support for pKa calculations and biomolecular structure completion
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good job