Thanks for the update. I did a test with 1bna. PDB2PQR no longer aborts now, though it still throws a tsunami of WARNING:Tetrahedral hydrogen reconstruction not available for nucleic acids. Some hydrogens may be missing (if so, this is a bug). The generated input for APBS runs, and yields results that are reasonable (by casual inspection). Should we be concerned about the warnings?
Thanks for the update. I did a test with 1bna. PDB2PQR no longer aborts now, though it still throws a tsunami of
WARNING:Tetrahedral hydrogen reconstruction not available for nucleic acids. Some hydrogens may be missing (if so, this is a bug).The generated input for APBS runs, and yields results that are reasonable (by casual inspection). Should we be concerned about the warnings?Originally posted by @poonmk in https://github.com/Electrostatics/pdb2pqr/issues/186#issuecomment-976881110