IMP Reference Guide
2.20.0
The Integrative Modeling Platform
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Pairwise docking incorporating additional data. More...
Pairwise docking incorporating additional data.
Pairwise docking incorporating additional data.
This is a protocol for pairwise protein docking, in which additional experimental information about the protein-protein complex is incorporated into the docking procedure to greatly improve the accuracy of predictions. This method succeeds in producing a near-native model among the top 10 models in 42–82% of cases, while state-of-the-art docking methods succeed only in 30–40% of cases, depending on the benchmark and accuracy criterion.
The protocol can currently incorporate data from the following sources:
Additionally the protocol calculates SOAP score based on an atomic statistical potential.
The protocol proceeds by first sampling complex models using PatchDock for pairwise protein docking, followed by filtering based on fit to the experimental data, clustering and composite scoring.
Examples:
Author(s): Dina Schneidman
Maintainer: duhovka
License: GPL This library is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
Publications:
Standard module functions | |
All | |
std::string | get_module_version () |
Return the version of this module, as a string. More... | |
std::string | get_module_name () |
std::string | get_data_path (std::string file_name) |
Return the full path to one of this module's data files. More... | |
std::string | get_example_path (std::string file_name) |
Return the full path to one of this module's example files. More... | |
std::string IMP::integrative_docking::get_data_path | ( | std::string | file_name | ) |
Return the full path to one of this module's data files.
To read the data file "data_library" that was placed in the data
directory of this module, do something like
This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh
script.
std::string IMP::integrative_docking::get_example_path | ( | std::string | file_name | ) |
Return the full path to one of this module's example files.
To read the example file "example_protein.pdb" that was placed in the examples
directory of this module, do something like
This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh
script.
std::string IMP::integrative_docking::get_module_version | ( | ) |
Return the version of this module, as a string.
Definition at line 5 of file EMageFit/__init__.py.