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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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Replace XML-format data files with YAML #367

Open sobolevnrm opened 11 months ago

sobolevnrm commented 11 months ago

Issue #358 will be easier to fix if we don't have to deal with XML-format data files; it might finally be time to replace those.

Originally posted by @sobolevnrm in https://github.com/Electrostatics/pdb2pqr/issues/358#issuecomment-1637324819