pack_missing_sidechains.cc File Reference

function to fix missing sidechains in input PDBs (especially those surface lysines that get sidechain-backbone clashes!) More...

#include <core/pack/pack_missing_sidechains.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/ResidueType.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/multithreading.OptionKeys.gen.hh>
#include <core/id/AtomID_Map.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>

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

Functions
static basic::Tracer	TR ("core.pack.pack_missing_sidechains")
void	core::pack::pack_missing_sidechains (core::pose::Pose &pose, core::id::AtomID_Mask const &missing)
	This function runs rotamer trials on residues missing sidechain density (as described by the AtomID_Mask). More...
bool	core::pack::figure_out_repackable_residues (core::pose::Pose &pose, core::id::AtomID_Mask const &to_repack, utility::vector1_bool &repackable)
	return vector of bools with true for each residue that has >=1 atom in to_repack that is not VIRTUAL, ORBS or LPbb More...

Detailed Description

function to fix missing sidechains in input PDBs (especially those surface lysines that get sidechain-backbone clashes!)

Author

Steven Lewis smlew.nosp@m.i@gm.nosp@m.ail.c.nosp@m.om Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tue..nosp@m.org) to allow multi-threaded interaction graph setup.

Function Documentation

static basic::Tracer TR ( "core.pack.pack_missing_sidechains"  )

static