Rosetta
Classes | Namespaces | Functions
Fingerprint.hh File Reference
#include <utility/VirtualBase.hh>
#include <protocols/pockets/Fingerprint.fwd.hh>
#include <protocols/pockets/PocketGrid.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.fwd.hh>
#include <numeric/xyzVector.hh>
#include <list>
#include <cmath>
#include <utility/vector1.hh>

Classes

struct  protocols::pockets::spherical_coor_triplet
 
struct  protocols::pockets::triplet_and_originnum
 
struct  protocols::pockets::ray_distance_derivs
 
class  protocols::pockets::FingerprintBase
 
class  protocols::pockets::NonPlaidFingerprint
 
class  protocols::pockets::PlaidFingerprint
 

Namespaces

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

Functions

void protocols::pockets::convert_cartesian_to_spherical_coor_triplet (numeric::xyzVector< core::Real > const &coord, spherical_coor_triplet &triplet)
 
void protocols::pockets::convert_spherical_coor_triplet_to_cartesian (spherical_coor_triplet const &triplet, numeric::xyzVector< core::Real > &coord)
 
void protocols::pockets::convert_cartesian_to_grid (numeric::xyzVector< core::Real > const &cart_coord, numeric::xyzVector< core::Real > const &mid, numeric::xyzVector< core::Real > const &dim, core::Real const &spacing, numeric::xyzVector< core::Real > &grid_coord)
 
void protocols::pockets::convert_grid_to_cartesian (numeric::xyzVector< core::Real > const &grid_coord, numeric::xyzVector< core::Real > const &mid, numeric::xyzVector< core::Real > const &dim, core::Real const &spacing, numeric::xyzVector< core::Real > &cart_coord)
 
core::Real protocols::pockets::dD_dv1 (const core::Real x0, const core::Real x2, const core::Real x3, const core::Real y0, const core::Real y2, const core::Real y3, const core::Real z0, const core::Real z2, const core::Real z3, const core::Real r)
 
core::Real protocols::pockets::dD_dv2 (const core::Real x0, const core::Real x2, const core::Real x3, const core::Real y0, const core::Real y2, const core::Real y3, const core::Real z0, const core::Real z2, const core::Real z3, const core::Real r)
 
core::Real protocols::pockets::dD_dv3 (const core::Real x0, const core::Real x2, const core::Real x3, const core::Real y0, const core::Real y2, const core::Real y3, const core::Real z0, const core::Real z2, const core::Real z3, const core::Real r)
 
core::Real protocols::pockets::dD_dv4 (const core::Real x0, const core::Real x2, const core::Real x3, const core::Real y0, const core::Real y2, const core::Real y3, const core::Real z0, const core::Real z2, const core::Real z3, const core::Real r, const core::Real v4, const core::Real v5, const core::Real v6, const core::Real, const core::Real, const core::Real yc, const core::Real ys, const core::Real zc, const core::Real zs)
 
core::Real protocols::pockets::dD_dv5 (const core::Real x0, const core::Real x2, const core::Real x3, const core::Real y0, const core::Real y2, const core::Real y3, const core::Real z0, const core::Real z2, const core::Real z3, const core::Real r, const core::Real v4, const core::Real v5, const core::Real v6, const core::Real xc, const core::Real xs, const core::Real yc, const core::Real ys, const core::Real zc, const core::Real zs)
 
core::Real protocols::pockets::dD_dv6 (const core::Real x0, const core::Real x2, const core::Real x3, const core::Real y0, const core::Real y2, const core::Real y3, const core::Real z0, const core::Real z2, const core::Real z3, const core::Real r, const core::Real v4, const core::Real v5, const core::Real v6, const core::Real xc, const core::Real xs, const core::Real yc, const core::Real ys, const core::Real zc, const core::Real 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)