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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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Issue with cyclic peptides #306

Closed stefdoerr closed 2 years ago

stefdoerr commented 2 years ago

pdb2pqr adds termini to the first and last residue in cyclic peptides creating a broken structure. image Example structure: https://www.rcsb.org/structure/5vav