psize does not take into account HETATMs correctly

Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

http://www.poissonboltzmann.org/

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Closed intendo closed 2 years ago

intendo commented 2 years ago

psize does not take into account HETATMs correctly when calculating grid lengths