Restore ligand functionality to PDB2PQR

Electrostatics / apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation

http://www.poissonboltzmann.org/

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Closed sobolevnrm closed 4 years ago

sobolevnrm commented 4 years ago

This adds ligand functionality back to PDB2PQR. The results will not be the same as before because of problems in the previous code.

Fixes #592

intendo commented 4 years ago

Leaving branch so @sobolevnrm can continue making changes, updates, and additions.

sobolevnrm commented 4 years ago

@intendo -- with the new repo, this branch is no longer needed. I will delete. Thanks!