ChargeGrid.hh File Reference

This is an implementation of equation 3 in Goodford, J. Med. Chem. 1985,28,849-857. doi:10.1021/jm00145a002. More...

#include <protocols/qsar/scoring_grid/ChargeGrid.fwd.hh>
#include <protocols/qsar/scoring_grid/SingleGrid.hh>

Classes
struct	protocols::qsar::scoring_grid::ChargeAtom
	a very light representation of an atom that is just a charge and a cartesian space position More...
class	protocols::qsar::scoring_grid::ChargeGrid

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::qsar
	protocols::qsar::scoring_grid

Detailed Description

This is an implementation of equation 3 in Goodford, J. Med. Chem. 1985,28,849-857. doi:10.1021/jm00145a002.

Author

Sam DeLuca