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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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Restore hbond/contact extension functionality #172

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 3 years ago

Hi @aanastasiou --

I'll create an issue to restore the functionality but I can't predict how long it will take to implement.

Thanks,

Nathan

Originally posted by @sobolevnrm in https://github.com/Electrostatics/pdb2pqr/issues/149#issuecomment-754657503

sobolevnrm commented 2 years ago

Unfortunately, it's been ~1 year and it seems unlikely that we will be able to reinstate this general functionality.