Rosetta  2021.16
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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