Scoring functions

• PMF (Potential of Mean Force)
  I. Muegge and Y.C. Martin, J. Med. Chem., 42, 791-804, 1999. Atomtypes assigned by SMARTS rules.
   
• PLP (Piecewise Linear Potential)
  D.K. Gehlhaar, G.M. Verkhiver, P.A. Reijto et al, Chem. Biol., 2, 317-324 (1995).
  Simple, fast function. Consistent assignment of hydrogen bond donor/acceptor may require tautomer and formal charge determination.