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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>
#include <utility/tag/XMLSchemaGeneration.fwd.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