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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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Process exits with code 0 when CRITICAL error is encountered #223

Closed Eo300 closed 2 years ago

Eo300 commented 2 years ago

As mentioned in https://github.com/Electrostatics/pdb2pqr/issues/214#issuecomment-912149465, PDB2PQR exits with code 0 even when critical error is encountered and the process bails.

Returning with an appropriate code 1 or exiting the process with exit(1) should rectify this.