BCLFragmentHandler.cc File Reference

A class for converting between BCl and Rosetta small molecule objects. More...

#include <core/chemical/bcl/BCLFragmentHandler.hh>
#include <core/chemical/Atom.hh>
#include <core/chemical/atomtype_support.hh>
#include <core/chemical/bcl/util.hh>
#include <core/chemical/Bond.hh>
#include <core/chemical/bond_support.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/Element.hh>
#include <core/chemical/Elements.hh>
#include <core/chemical/ElementSet.hh>
#include <core/chemical/gasteiger/GasteigerAtomTypeSet.hh>
#include <core/chemical/gasteiger/GasteigerAtomTypeData.hh>
#include <core/chemical/icoor_support.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/chemical/MutableResidueType.hh>
#include <core/chemical/MutableResidueConnection.hh>
#include <core/chemical/ResidueGraphTypes.hh>
#include <core/chemical/residue_support.hh>
#include <utility/exit.hh>
#include <utility/numbers.hh>
#include <utility/string_util.hh>
#include <basic/Tracer.hh>
#include <numeric/xyzVector.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::chemical
	core::chemical::bcl

Functions
static basic::Tracer	core::chemical::bcl::TR ("core.chemical.bcl.BCLFragmentHandler")

Detailed Description

A class for converting between BCl and Rosetta small molecule objects.

This class converts between BCL and Rosetta small molecule objects and sets small molecule BCL conformers as rotamers in a Rosetta pose residue. This class is meant to deprecate FragmentToRestype and RestypeToFragment and make one umbrella class that can be extended and/or generalized.

Author

Sandeep Kothiwale Rocco Moretti Steven Combs Benjamin P. Brown (benja.nosp@m.min..nosp@m.p.bro.nosp@m.wn17.nosp@m.@gmai.nosp@m.l.co.nosp@m.m)