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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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Generate conda release for PDB2PQR 3.3.1 #247

Closed sobolevnrm closed 2 years ago

sobolevnrm commented 2 years ago

The GitHub and PyPI parts of this are done. @tsenapathi are you able to generate the conda release?

Originally posted by @sobolevnrm in https://github.com/Electrostatics/pdb2pqr/issues/211#issuecomment-968201545

sobolevnrm commented 2 years ago

https://github.com/conda-forge/pdb2pqr-feedstock/pull/3#event-5613891944