Rosetta
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BCLFragmentMutateMover.cc File Reference

A general mover class for performing BCL mutates on Rosetta small molecule residues. More...

#include <protocols/drug_design/bcl/BCLFragmentMutateMover.hh>
#include <protocols/drug_design/bcl/BCLFragmentMutateMoverCreator.hh>
#include <protocols/rosetta_scripts/util.hh>
#include <protocols/drug_design/bcl/BCLSampleConfsManager.hh>
#include <core/chemical/Atom.hh>
#include <core/chemical/Atom.fwd.hh>
#include <core/chemical/AtomProperty.hh>
#include <core/chemical/AtomProperties.fwd.hh>
#include <core/chemical/bcl/util.hh>
#include <core/chemical/ResidueGraphTypes.hh>
#include <core/chemical/Bond.hh>
#include <core/conformation/Residue.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <core/pose/chains_util.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/Pose.hh>
#include <utility/numbers.hh>
#include <utility/exit.hh>
#include <basic/Tracer.hh>
#include <basic/datacache/DataMap.hh>
#include <utility/tag/Tag.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <protocols/moves/mover_schemas.hh>
#include <string>
#include <utility/io/ozstream.hh>
#include <numeric/xyzVector.hh>
#include <numeric/random/random.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::drug_design
 
 protocols::drug_design::bcl
 

Functions

static basic::Tracer protocols::drug_design::bcl::TR ("protocols.drug_design.bcl.BCLFragmentMutateMover")
 

Detailed Description

A general mover class for performing BCL mutates on Rosetta small molecule residues.

This class makes a mover for BCL small molecule drug design mutates. The design leverages the BCL util::Implementation< template> class, which allows the templated argument type to be constructed from an object data label, which itself can be generated from a string. This is essentially how users interact with the BCL from the command-line: they pass serializable arguments to the BCL that are interpreted as object data labels for construction of objects within the the specified application.

Author
Benjamin P. Brown (benja.nosp@m.min..nosp@m.p.bro.nosp@m.wn17.nosp@m.@gmai.nosp@m.l.co.nosp@m.m)