Add more chain characters to support proteins with more chains

Electrostatics / pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

http://www.poissonboltzmann.org/

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Add more chain characters to support proteins with more chains #196

Closed stefdoerr closed 3 years ago

stefdoerr commented 3 years ago

Upper and lower case chains can be used as well as numbers so this allows us to prepare proteins with more chains than A-Z. Also seems like in the past we had a case where the angle went under -1 so it's good to catch that case as well.