atomtype_support.hh File Reference

#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/MutableResidueType.fwd.hh>
#include <core/chemical/ResidueGraphTypes.hh>

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

Functions
bool	core::chemical::retype_is_aromatic (VD const &atom, ResidueGraph const &graph)
	An atom is aromatic if it has any aromatic bonds to a non-virtual atom. TODO: We need better aromatic ring detection. More...
void	core::chemical::rosetta_retype_fullatom (MutableResidueType &restype, bool preserve)
	Reassign Rosetta atom types based on the current fullatom heuristics. More...

Detailed Description

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)