util.hh File Reference

#include <core/pose/Pose.hh>
#include <core/scoring/constraints/Constraint.fwd.hh>
#include <protocols/antibody/AntibodyInfo.fwd.hh>
#include <protocols/antibody/clusters/CDRClusterEnum.hh>
#include <protocols/antibody/AntibodyEnum.hh>

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

Functions
bool	protocols::antibody::constraints::cdr_has_res_constraints (AntibodyInfoCOP ab_info, core::pose::Pose &pose, CDRNameEnum const cdr, std::string const constraint_type)
	Check if all residues already have a specific constraint type. Useful for coordinate and dihedral constraints. More...
void	protocols::antibody::constraints::add_harmonic_cluster_cst_or_coordinate_cst (AntibodyInfoOP ab_info, core::pose::Pose &pose, CDRNameEnum const cdr, core::Real coord_cst_sd=.75)
	Adds harmonic cluster constraint or coordinate cst if the cluster does not have constraints associated with it. Requires AHO numbering. More...
void	protocols::antibody::constraints::add_harmonic_cluster_cst_or_coordinate_cst (AntibodyInfoOP ab_info, core::pose::Pose &pose, CDRNameEnum const cdr, clusters::CDRClusterEnum const cluster, core::Real coord_cst_sd=.75)
	Adds harmonic cluster constraint or coordinate cst if the cluster does not have constraints associated with it. Requires AHO numbering. More...
void	protocols::antibody::constraints::add_harmonic_cluster_cst_or_dihedral_cst (AntibodyInfoOP ab_info, core::pose::Pose &pose, CDRNameEnum const cdr, core::Real phi_sd_deg=20.0, core::Real psi_sd_deg=30.0)
	Add dihedral constraints to CDR with mean being the current phi/psi if no cluster constraints. More...
void	protocols::antibody::constraints::add_harmonic_cluster_cst_or_dihedral_cst (AntibodyInfoOP ab_info, core::pose::Pose &pose, CDRNameEnum const cdr, clusters::CDRClusterEnum const cluster, core::Real phi_sd_deg=20.0, core::Real psi_sd_deg=30.0)
	Add dihedral constraints to CDR with mean being the current phi/psi if no cluster constraints. More...
void	protocols::antibody::constraints::add_harmonic_dihedral_cst_general (AntibodyInfoOP ab_info, core::pose::Pose &pose, CDRNameEnum const cdr, core::Real phi_sd_deg=20.0, core::Real psi_sd_deg=30.0)
	Add dihedral constraints to CDR with mean being the current phi/psi. More...
std::map< CDRNameEnum, bool >	protocols::antibody::constraints::add_harmonic_cluster_constraints (AntibodyInfoOP ab_info, core::pose::Pose &pose)
	Adds dihedral harmonic constraints to Pose CDRs using cluster info in AntibodyInfo. More...
std::map< CDRNameEnum, bool >	protocols::antibody::constraints::add_harmonic_cluster_constraints (AntibodyInfoOP ab_info, core::pose::Pose &pose, utility::vector1< core::scoring::constraints::ConstraintCOP > constraints)
	Same as above, but adds constraints to the vector so they can be identified and removed from the pose if needed. More...
bool	protocols::antibody::constraints::add_harmonic_cluster_constraint (AntibodyInfoCOP ab_info, core::pose::Pose &pose, clusters::CDRClusterEnum const cluster)
	Adds a harmonic constraint to a Pose CDR based on cluster type. More...
bool	protocols::antibody::constraints::add_harmonic_cluster_constraint (AntibodyInfoCOP ab_info, core::pose::Pose &pose, clusters::CDRClusterEnum const cluster, utility::vector1< core::scoring::constraints::ConstraintCOP > constraints)
	Same as above, but adds constraints to the vector so they can be identified and removed from the pose if needed. More...
std::string	protocols::antibody::constraints::get_harmonic_cluster_constraint_filename (AntibodyInfoCOP ab_info, clusters::CDRClusterEnum const cluster)
	Gets the cluster constraint name. Returns NA if not found. More...

Detailed Description

Author

Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)