BCLFragmentBaseMover.cc File Reference

A base mover class for perturbing small molecule fragments with the BCL. More...

#include <protocols/drug_design/bcl/BCLFragmentBaseMover.hh>
#include <protocols/drug_design/bcl/BCLSampleConfsManager.hh>
#include <protocols/drug_design/bcl/BCLReferenceSDFilesManager.hh>
#include <protocols/rosetta_scripts/util.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>

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.BCLFragmentBaseMover")

Detailed Description

A base mover class for perturbing small molecule fragments with the BCL.

This is a base class for perturbing small molecules with the BCL. It primarily contains options relating to generating 3D conformers of fragments, which is very common for most perturbation types. It also contains a BCLFragmentHandler object as a member, which is what we use to interconvert between BCL FragmentComplete objects and Rosetta MutableResidueType objects.

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)