Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
protocols::protein_interface_design::PatchdockReader Class Reference

#include <read_patchdock.hh>

Inheritance diagram for protocols::protein_interface_design::PatchdockReader:
Inheritance graph
[legend]
Collaboration diagram for protocols::protein_interface_design::PatchdockReader:
Collaboration graph
[legend]

Public Member Functions

 PatchdockReader ()
 
virtual ~PatchdockReader ()
 
void read_poses (core::pose::Pose &input_pose, std::string &input_tag)
 if no native is read More...
 
void read_poses (core::pose::Pose &input_pose, core::pose::Pose &native_pose, std::string &input_tag, std::string &native_tag)
 reads input and native poses from file. If patchdock flags are used will read the patchdock transformation and transform the input pose accordingly More...
 
void read_patchdock (std::string &input_tag, std::string &native_tag)
 
Transformation read_patchdock_entry ()
 
void clear_internals ()
 
core::Size number_of_patchdock_entries ()
 

Private Attributes

std::string patchdock_fname_
 
core::Size patchdock_entry_num_
 
core::pose::PoseOP saved_input_pose_
 
core::pose::PoseOP saved_native_pose_
 
std::string saved_input_tag_
 
std::string saved_native_tag_
 
utility::vector1< Transformationsaved_transformations_
 

Constructor & Destructor Documentation

protocols::protein_interface_design::PatchdockReader::PatchdockReader ( )
protocols::protein_interface_design::PatchdockReader::~PatchdockReader ( )
virtual

Member Function Documentation

void protocols::protein_interface_design::PatchdockReader::clear_internals ( )
core::Size protocols::protein_interface_design::PatchdockReader::number_of_patchdock_entries ( )
Detailed: how many entries are there in the patchdock file?
void protocols::protein_interface_design::PatchdockReader::read_patchdock ( std::string &  input_tag,
std::string &  native_tag 
)
Transformation protocols::protein_interface_design::PatchdockReader::read_patchdock_entry ( )
Detailed: read a rigid-body transformation from a patchdock file.
caches transformations in saved_transformations_ to avoid multiple disk access

References core::scoring::hbonds::t(), and core::TR().

void protocols::protein_interface_design::PatchdockReader::read_poses ( core::pose::Pose input_pose,
std::string &  input_tag 
)
void protocols::protein_interface_design::PatchdockReader::read_poses ( core::pose::Pose input_pose,
core::pose::Pose native_pose,
std::string &  input_tag,
std::string &  native_tag 
)

reads input and native poses from file. If patchdock flags are used will read the patchdock transformation and transform the input pose accordingly

If the native and input tags match those saved in the object, then the pose will not be read again from disk. Only the patchdock entry will be read.

References core::import_pose::centroid_pose_from_pdb(), core::pose::Pose::fold_tree(), core::chemical::ChemicalManager::get_instance(), core::import_pose::pose_from_pdb(), core::chemical::ChemicalManager::residue_type_set(), core::scoring::hbonds::t(), core::TR(), and protocols::protein_interface_design::transform_pose().

Member Data Documentation

core::Size protocols::protein_interface_design::PatchdockReader::patchdock_entry_num_
private
std::string protocols::protein_interface_design::PatchdockReader::patchdock_fname_
private
core::pose::PoseOP protocols::protein_interface_design::PatchdockReader::saved_input_pose_
private
std::string protocols::protein_interface_design::PatchdockReader::saved_input_tag_
private
core::pose::PoseOP protocols::protein_interface_design::PatchdockReader::saved_native_pose_
private
std::string protocols::protein_interface_design::PatchdockReader::saved_native_tag_
private
utility::vector1< Transformation > protocols::protein_interface_design::PatchdockReader::saved_transformations_
private

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