Rosetta  2020.46
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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