Simple class for identifying CDR cluster of an antibody or protein structure. More...

#include <CDRClusterMatcher.hh>

Public Member Functions
	CDRClusterMatcher ()

virtual	~CDRClusterMatcher ()

CDRClusterOP	get_cdr_cluster (core::pose::Pose const &pose, CDRNameEnum const cdr, core::Size start, const core::Size end) const
	Get the cluster of an antibody CDR region, defined between start and end of the pose. Should it give out an OP or not? It's a small class... I don't have any idea... More...

CDRClusterOP	get_closest_cluster (core::pose::Pose const &pose, core::Size const start, core::Size const end) const
	Get the closest cluster of a region. Used to detect CDR-like regions in normal proteins. More...

Private Member Functions
void	load_center_data ()

std::map< std::string, vector1 < core::Real > >	get_pose_angles (core::pose::Pose const &pose, core::Size const start, core::Size const end) const

Private Attributes
std::string	center_cluster_db_path_

vector1< ClusterData >	cluster_data_

Detailed Description

Simple class for identifying CDR cluster of an antibody or protein structure.

Main interface is through CDRClusterSet/AntibodyInfo. That is where AntibodyNumbering can be used to access specific CDRs and numbering scheme transformations.

Constructor & Destructor Documentation

protocols::antibody::clusters::CDRClusterMatcher::CDRClusterMatcher ( )

protocols::antibody::clusters::CDRClusterMatcher::~CDRClusterMatcher ( )

virtual

Member Function Documentation

CDRClusterOP protocols::antibody::clusters::CDRClusterMatcher::get_cdr_cluster	(	core::pose::Pose const &	pose,
		CDRNameEnum const	cdr,
		core::Size	start,
		const core::Size	end
	)		const

Get the cluster of an antibody CDR region, defined between start and end of the pose. Should it give out an OP or not? It's a small class... I don't have any idea...

References protocols::antibody::clusters::calculate_dihedral_distance(), protocols::antibody::clusters::ClusterData::cdr, protocols::antibody::clusters::ClusterData::cis_trans_conf, cluster, distance(), protocols::antibody::clusters::get_pose_cis_trans_conformation(), length, protocols::antibody::clusters::ClusterData::length, utility::min(), protocols::antibody::clusters::NA, protocols::antibody::clusters::ClusterData::phis, and protocols::antibody::clusters::ClusterData::psis.

CDRClusterOP protocols::antibody::clusters::CDRClusterMatcher::get_closest_cluster	(	core::pose::Pose const &	pose,
		core::Size const	start,
		core::Size const	end
	)		const

Get the closest cluster of a region. Used to detect CDR-like regions in normal proteins.

References protocols::antibody::clusters::calculate_dihedral_distance(), protocols::antibody::clusters::ClusterData::cis_trans_conf, cluster, distance(), protocols::antibody::clusters::get_pose_cis_trans_conformation(), protocols::antibody::l1, length, protocols::antibody::clusters::ClusterData::length, utility::min(), protocols::antibody::clusters::NA, protocols::antibody::clusters::ClusterData::phis, and protocols::antibody::clusters::ClusterData::psis.

std::map< std::string, vector1< core::Real > > protocols::antibody::clusters::CDRClusterMatcher::get_pose_angles	(	core::pose::Pose const &	pose,
		core::Size const	start,
		core::Size const	end
	)		const