PDB2PQR tests don't actually work

Electrostatics / apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation

http://www.poissonboltzmann.org/

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PDB2PQR tests don't actually work #571

Closed sobolevnrm closed 4 years ago

sobolevnrm commented 4 years ago

They just appear to work. You need to look at the results comparison to see the problem of mismatched PQR lines due to reordering of atoms. Visual inspection suggests that the results are correct.

sobolevnrm commented 4 years ago

Mostly duplicates #549