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ChargeGrid.cc 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.hh>
#include <protocols/qsar/scoring_grid/ChargeGridCreator.hh>
#include <protocols/qsar/scoring_grid/SingleGrid.hh>
#include <protocols/qsar/scoring_grid/schema_util.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/chains_util.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/UltraLightResidue.hh>
#include <utility/tag/Tag.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <utility/tools/make_vector.hh>
#include <utility/json_spirit/json_spirit_value.h>
#include <numeric/xyz.json.hh>
#include <boost/math/constants/constants.hpp>

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