MatchConstraintFileInfo.hh File Reference

#include <protocols/toolbox/match_enzdes_util/MatchConstraintFileInfo.fwd.hh>
#include <protocols/toolbox/match_enzdes_util/EnzCstTemplateRes.hh>
#include <protocols/toolbox/match_enzdes_util/ExternalGeomSampler.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <utility/VirtualBase.hh>
#include <utility/io/izstream.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>
#include <numeric/HomogeneousTransform.fwd.hh>
#include <map>
#include <string>
#include <set>
#include <list>
#include <utility/vector1.hh>

Classes
class	protocols::toolbox::match_enzdes_util::GeomSampleInfo
	class that stores information of one geometric parameter line of the .cst file i.e. angleA or torsionB More...
struct	protocols::toolbox::match_enzdes_util::SingleConstraint
class	protocols::toolbox::match_enzdes_util::MatchConstraintFileInfo
class	protocols::toolbox::match_enzdes_util::MatchConstraintFileInfoList
	a simple container class to contain several MatchConstraintFileInfo instances. this can also query the MatchConstraintFileInfos for common upstream restypes and put all their geomsamples into one list More...

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::toolbox
	protocols::toolbox::match_enzdes_util

Functions
void	protocols::toolbox::match_enzdes_util::add_relevant_restypes_to_subset (std::set< core::chemical::ResidueTypeCOP > &restype_subset, std::string const &name3, core::chemical::ResidueTypeSetCOP restype_set)
	function to go through a list of restypes and reduce them to chemically identical ones based on the same base_name i.e. this function gets rid of the variant redundancy More...

Detailed Description

Author

Florian Richter, flori.nosp@m.c@u..nosp@m.washi.nosp@m.ngto.nosp@m.n.edu, may 2009