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

Namespaces