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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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Add PDB2PQR 3.3.1 to web server #248

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

@Eo300 and @intendo -- can we get 3.3.1 integrated into the webserver? Thanks.

Originally posted by @sobolevnrm in https://github.com/Electrostatics/pdb2pqr/issues/211#issuecomment-968202095

intendo commented 2 years ago

We will work with @mmacduff to update the documentation and get this deployed.

intendo commented 2 years ago

This was fixed via https://github.com/Electrostatics/apbs-aws/pull/139 PDB2PQR was updated to 3.3.1 on dev, test, and production deployments on AWS.