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pdb2pqr
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
http://www.poissonboltzmann.org/
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Need testing of various command-line options
#278
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sobolevnrm
opened
2 years ago
sobolevnrm
commented
2 years ago
[ ] Overall testing of command line options (make sure they work)
[ ] Testing of
--userff
[ ] Testing of
--usernames
[ ] Testing of
--apbs-input
--userff
--usernames
--apbs-input