util.hh File Reference

Utilities for ligand docking. More...

#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <string>

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

Functions
void	protocols::ligand_docking::move_ligand_to_desired_centroid (std::string const &chain, core::Vector const &desired_centroid, core::pose::Pose &pose)
	Move the center of specified chain to the desired_centroid. More...
void	protocols::ligand_docking::move_ligand_to_desired_centroid (utility::vector1< std::string > const &chains, core::Vector const &desired_centroid, core::pose::Pose &pose)
	Move the center of specified multiple chains to the desired_centroid. More...
void	protocols::ligand_docking::move_ligand_to_desired_centroid (core::Size const jump_id, core::Vector const &desired_centroid, core::pose::Pose &pose)
	Move the center of the object(s) downstream of jump_id to the desired_centroid. More...
void	protocols::ligand_docking::move_ligand_neighbor_to_desired_position (utility::vector1< std::string > const &chains, core::Vector const &desired_position, core::pose::Pose &pose)
	Move the neighbor atom of the specified multiple chains to the desired_position. More...
void	protocols::ligand_docking::move_ligand_neighbor_to_desired_position (std::string const &chain, core::Vector const &desired_position, core::pose::Pose &pose)
	Move the neighbor atom of the specified chain to the desired_position. More...
void	protocols::ligand_docking::add_string_real_pair (core::pose::Pose &pose, std::string const &string, core::Real real)
	Annotate a string/real pair. Will place it in the JD2 job, and if JD2 is not active, will also place it in the pose extra scores. More...

Detailed Description

Utilities for ligand docking.

Author

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