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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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Update pkg_resources #378

Closed sobolevnrm closed 9 months ago

sobolevnrm commented 9 months ago

I get an error importing pkg_resources using a vanilla Python 3.12 virtual environment. This can be fixed by updating setuptools but it seems that pkg_resources is deprecated so I should follow the playbook from https://github.com/jensengroup/propka/pull/176 and update.

sobolevnrm commented 9 months ago

Never mind -- this was a problem with the PROPKA import.