Fingerprint.cc File Reference

protocols::pockets::Fingerprint functions More...

#include <numeric/constants.hh>
#include <protocols/pockets/Fingerprint.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/id/AtomID_Map.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/AtomType.hh>
#include <core/types.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/conversions.hh>
#include <utility/io/ozstream.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/fingerprint.OptionKeys.gen.hh>
#include <basic/options/keys/pocket_grid.OptionKeys.gen.hh>
#include <basic/database/open.hh>
#include <iostream>
#include <iomanip>
#include <fstream>
#include <ostream>
#include <string>
#include <sstream>
#include <cmath>
#include <map>
#include <utility/vector1.hh>
#include <numeric/random/random.fwd.hh>

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

Functions
double	protocols::pockets::dD_dv1 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r)
double	protocols::pockets::dD_dv2 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r)
double	protocols::pockets::dD_dv3 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r)
double	protocols::pockets::dD_dv4 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r, const double v4, const double v5, const double v6, const double, const double, const double yc, const double ys, const double zc, const double zs)
double	protocols::pockets::dD_dv5 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r, const double v4, const double v5, const double v6, const double xc, const double xs, const double yc, const double ys, const double zc, const double zs)
double	protocols::pockets::dD_dv6 (const double x0, const double x2, const double x3, const double y0, const double y2, const double y3, const double z0, const double z2, const double z3, const double r, const double v4, const double v5, const double v6, const double xc, const double xs, const double yc, const double ys, const double zc, const double zs)
core::Real	protocols::pockets::Find_Closest_Intersect_SQ (core::Real const &phiAngle, core::Real const &psiAngle, core::Real const &atomX, core::Real const &atomY, core::Real const &atomZ, core::Real const &atom_radius)

Detailed Description

protocols::pockets::Fingerprint functions

Author

Ragul Gowthaman