Rosetta Protocols  2014.35
Namespaces | Functions
RB_geometry.hh File Reference

functions that set up the geometry required for rigid body moves More...

#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <numeric/xyzMatrix.fwd.hh>
#include <utility/vector1.hh>

Namespaces

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

Functions

numeric::xyzMatrix_double protocols::geometry::random_reorientation_matrix (const double phi_range, const double psi_range)
 
void protocols::geometry::centroids_by_jump (core::pose::Pose const &pose, core::Size const jump_id, core::Vector &upstream_ctrd, core::Vector &downstream_ctrd)
 Unweighted centroids of all atoms upstream of the jump vs. all atoms downstream of the jump. More...
 
void protocols::geometry::centroids_by_jump (core::pose::Pose const &pose, core::Size const jump_id, core::Vector &upstream_ctrd, core::Vector &downstream_ctrd, utility::vector1< bool > ok_for_centroid_calculation)
 Unweighted centroids of all atoms upstream of the jump vs. all atoms downstream of the jump. More...
 
std::pair< core::Vector,
core::Vector
protocols::geometry::centroid_pair_by_jump (core::pose::Pose const &pose, core::Size jump_id)
 
core::Vector protocols::geometry::downstream_centroid_by_jump (core::pose::Pose const &pose, core::Size jump_id)
 
core::Vector protocols::geometry::upstream_centroid_by_jump (core::pose::Pose const &pose, core::Size jump_id)
 
void protocols::geometry::centroids_by_jump_int (core::pose::Pose const &pose, core::Size jump_id, core::Vector &upstream_ctrd, core::Vector &downstream_ctrd)
 Unweighted centroids of all atoms upstream of the jump vs. all atoms downstream of the jump for interface residues only. needed to calculate rb_centers for fullatom docking - Sid C. More...
 

Detailed Description

functions that set up the geometry required for rigid body moves

Author
Monica Berrondo edited 8.05.08 by G.Lemmon. I changed jump_ids from int to core::Size. I also added 3 methods to get downstream and upstream centroids so we can avoid "dummy" centroids