BCLFragmentHandler.hh File Reference

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

#include <core/chemical/MutableResidueType.hh>
#include <core/chemical/AtomRefMapping.hh>
#include <core/chemical/rotamers/StoredRotamerLibrarySpecification.fwd.hh>
#include <core/chemical/rotamers/StoredRotamerLibrarySpecification.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector0.hh>
#include <utility/exit.hh>
#include <string>

Classes
class	core::chemical::bcl::BCLFragmentHandler

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

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)