OversaturatedHbondAcceptorFilter.hh File Reference

Headers for the OversaturatedHbondAcceptorFilter. This filter flags poses containing more than two hydrogen bonds to an oxygen atom, a common pathology that results from Rosetta's pairwise-decomposible scorefunction, which can't penalize excessive hydrogen bonds. More...

#include <protocols/cyclic_peptide/OversaturatedHbondAcceptorFilter.fwd.hh>
#include <protocols/filters/Filter.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>

Classes
class	protocols::cyclic_peptide::OversaturatedHbondAcceptorFilter
	This filter flags poses containing more than two hydrogen bonds to an oxygen atom, a common pathology that results from Rosetta's pairwise-decomposible scorefunction, which can't penalize excessive hydrogen bonds. More...

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::cyclic_peptide

Detailed Description

Headers for the OversaturatedHbondAcceptorFilter. This filter flags poses containing more than two hydrogen bonds to an oxygen atom, a common pathology that results from Rosetta's pairwise-decomposible scorefunction, which can't penalize excessive hydrogen bonds.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu)