Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Namespaces | Functions
packer_neighbors.hh File Reference

creates a graph that describes the possible connectivity induced by designing-in larger side chains More...

#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <utility/graph/Graph.fwd.hh>
#include <core/types.hh>
#include <utility/vector1.hh>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pack
 

Functions

utility::graph::GraphOP core::pack::create_packer_graph (pose::Pose const &pose, scoring::ScoreFunction const &scfxn, task::PackerTaskCOP task)
 Constructs a graph where edges represent the possibility of interactions between residue pairs. More...
 
utility::graph::GraphOP core::pack::create_packer_graph (pose::Pose const &pose, scoring::ScoreFunction const &scfxn, task::PackerTaskCOP task, core::Size total_nodes, utility::vector1< Distance > const &residue_radii)
 Constructs a graph where edges represent the possibility of interactions between residue pairs. More...
 
utility::vector1< Distance > core::pack::find_residue_max_radii (pose::Pose const &pose, task::PackerTaskCOP the_task)
 for each residue in the protein, finds the largest bounding sphere over all allowable rotameric/chemical modifications possible given the input task. More...
 
void core::pack::pack_scorefxn_pose_handshake (pose::Pose &pose, scoring::ScoreFunction const &scfxn)
 

Detailed Description

creates a graph that describes the possible connectivity induced by designing-in larger side chains

Author
Andrew Leaver-Fay (aleav.nosp@m.erfa.nosp@m.y@gma.nosp@m.il.c.nosp@m.om)