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Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Update aa.py #241

Closed intendo closed 2 years ago

intendo commented 2 years ago

Hotfix to fix error message string reported by Stefan Doerr https://github.com/Electrostatics/pdb2pqr/blob/master/pdb2pqr/aa.py#L569-L573