Rosetta Protocols  2014.35
Functions
protocols::geometry Namespace Reference

Functions

numeric::xyzMatrix_double random_reorientation_matrix (const double phi_range, const double psi_range)
 
void 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 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
centroid_pair_by_jump (core::pose::Pose const &pose, core::Size jump_id)
 
core::Vector upstream_centroid_by_jump (core::pose::Pose const &pose, core::Size jump_id)
 
core::Vector downstream_centroid_by_jump (core::pose::Pose const &pose, core::Size jump_id)
 
void 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...
 

Function Documentation

std::pair< core::Vector, core::Vector > protocols::geometry::centroid_pair_by_jump ( core::pose::Pose const &  pose,
core::Size  jump_id 
)
void protocols::geometry::centroids_by_jump ( core::pose::Pose const &  pose,
core::Size const  jump_id,
core::Vector upstream_ctrd,
core::Vector downstream_ctrd 
)
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.

Deliberately includes H – is this OK?

References core::pose::Pose::fold_tree(), core::conformation::Residue::natoms(), core::kinematics::FoldTree::partition_by_jump(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), and core::conformation::Residue::xyz().

Referenced by centroid_pair_by_jump(), centroids_by_jump(), and centroids_by_jump_int().

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.

Deliberately includes H – is this OK?

References protocols::scoring::Interface::calculate(), centroids_by_jump(), protocols::scoring::Interface::distance(), core::pose::Pose::fold_tree(), protocols::scoring::Interface::is_interface(), core::conformation::Residue::natoms(), core::kinematics::FoldTree::partition_by_jump(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), TR, and core::conformation::Residue::xyz().

Referenced by protocols::rigid::RigidBodyPerturbMover::apply().

core::Vector protocols::geometry::downstream_centroid_by_jump ( core::pose::Pose const &  pose,
core::Size  jump_id 
)
numeric::xyzMatrix_double protocols::geometry::random_reorientation_matrix ( const double  phi_range,
const double  psi_range 
)
core::Vector protocols::geometry::upstream_centroid_by_jump ( core::pose::Pose const &  pose,
core::Size  jump_id 
)