Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Fix mol2 parsing #387

Open nimijkrap opened 5 months ago

nimijkrap commented 5 months ago
sobolevnrm commented 5 months ago

Thank you for contributing this. Can you please share the issue that this closes and add a test that demonstrates the problem this fixes?