protocols::ligand_docking::ligand_options::Interface Class Reference

For each residue is it in the interface, a mobile region or a non-mobile region? More...

#include <Interface.hh>

Inheritance diagram for protocols::ligand_docking::ligand_options::Interface:

Public Member Functions
	Interface (core::Size num, InterfaceInfo info)
core::Size	find_first_interface_residue (core::Size chain_begin, core::Size const chain_end) const
core::Size	find_start_of_next_interface_region (core::Size start_from, core::Size const chain_end) const
core::Size	find_stop_of_this_interface_region (core::Size start_from, core::Size const chain_end) const
void	enforce_minimum_length (core::Size const chain_begin, core::Size const chain_end, core::Size const window)
utility::vector1< core::Size >	get_interface_residues () const
utility::vector1< core::Size >	get_near_interface_residues () const
std::string	get_python_string () const

Private Member Functions
void	set_interface_residue (core::Size const potential_interface_residue_id, core::Size const ligand_interface_residue_id)

Detailed Description

For each residue is it in the interface, a mobile region or a non-mobile region?

Constructor & Destructor Documentation

protocols::ligand_docking::ligand_options::Interface::Interface	(	core::Size	num,
		InterfaceInfo	info
	)

Member Function Documentation

void protocols::ligand_docking::ligand_options::Interface::enforce_minimum_length	(	core::Size const	chain_begin,
		core::Size const	chain_end,
		core::Size const	window
	)

References protocols::ligand_docking::ligand_options::InterfaceInfo::is_interface, protocols::ligand_docking::ligand_options::InterfaceInfo::near_interface, and protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface.

Referenced by protocols::ligand_docking::InterfaceBuilder::enforce_minimum_length().

core::Size protocols::ligand_docking::ligand_options::Interface::find_first_interface_residue	(	core::Size	chain_begin,
		core::Size const	chain_end
	)		const

References find_start_of_next_interface_region(), and protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface.

Referenced by protocols::ligand_docking::MinimizeBackbone::add_cut_points().

core::Size protocols::ligand_docking::ligand_options::Interface::find_start_of_next_interface_region	(	core::Size	start_from,
		core::Size const	chain_end
	)		const

References protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface.

Referenced by protocols::ligand_docking::MinimizeBackbone::add_cut_points(), and find_first_interface_residue().

core::Size protocols::ligand_docking::ligand_options::Interface::find_stop_of_this_interface_region	(	core::Size	start_from,
		core::Size const	chain_end
	)		const

References protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface.

Referenced by protocols::ligand_docking::MinimizeBackbone::add_cut_points().

utility::vector1< core::Size > protocols::ligand_docking::ligand_options::Interface::get_interface_residues

(

)

const

References protocols::ligand_docking::ligand_options::InterfaceInfo::is_interface.

Referenced by get_python_string().

utility::vector1< core::Size > protocols::ligand_docking::ligand_options::Interface::get_near_interface_residues

(

)

const

References protocols::ligand_docking::ligand_options::InterfaceInfo::near_interface.

Referenced by get_python_string().

std::string protocols::ligand_docking::ligand_options::Interface::get_python_string

(

)

const

References get_interface_residues(), and get_near_interface_residues().

Referenced by protocols::ligand_docking::ligand_options::operator<<().

void protocols::ligand_docking::ligand_options::Interface::set_interface_residue ( core::Size const  potential_interface_residue_id, core::Size const  ligand_interface_residue_id  )

private

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The documentation for this class was generated from the following files:

• src/protocols/ligand_docking/ligand_options/Interface.hh
• src/protocols/ligand_docking/ligand_options/Interface.cc