water_rotamer_building_functions.hh File Reference

a few water rotamer building functions More...

#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/RotamerSampleOptions.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/graph/Graph.fwd.hh>
#include <utility/io/izstream.fwd.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>

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

Functions
core::PackerEnergy	core::pack::rotamer_set::bump_check (core::conformation::ResidueCOP rotamer, core::Size resid, scoring::ScoreFunction const &sf, pose::Pose const &pose, task::PackerTask const &task, utility::graph::GraphCOP packer_neighbor_graph)
void	core::pack::rotamer_set::build_rotated_water_rotamers (Size const seqpos, pack::task::PackerTask const &task, pose::Pose const &pose, scoring::ScoreFunction const &scorefxn, utility::graph::GraphCOP packer_neighbor_graph, utility::vector1< conformation::ResidueOP > &new_rotamers, bool incl_vrt)

Detailed Description

a few water rotamer building functions

Author

Frank DiMaio & Ryan Pavlovicz