IMP::multi_state Namespace Reference

Detailed Description

Functionality for handling multi-state models. These are used in IMP to model systems that are found simultaneously in multiple states. For example, a hinge protein may be found in both 'open' and 'closed' forms, and so some experiments conducted on a sample of the protein will return data from both forms. Building a single model that tries to be consistent with all the data will therefore fail - two models need to be constructed.

multi_foxs

Command line tool to enumerate multi-state models with SAXS profiles. See also IMP::foxs for the similar FoXS command line tool.

Info

Author(s): Dina Schneidman

Maintainer: duhovka

License: LGPL This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

Publications:

• Dina Schneidman-Duhovny, Michael Hammel, John A. Tainer, Andrej Sali, “Accurate SAXS profile computation and its assessment by contrast variation experiments”, Biophysical Journal , 2013.

Classes
class	SAXSMultiStateModelScore

Typedefs
typedef std::vector < MultiStateModel >	Ensemble

Standard module functions
All IMP modules have a set of standard functions to help get information about the module and about files associated with the module.
std::string	get_module_version ()
std::string	get_module_name ()
std::string	get_data_path (std::string file_name)
	Return the full path to installed data. More...
std::string	get_example_path (std::string file_name)
	Return the path to installed example data for this module. More...

Function Documentation

std::string IMP::multi_state::get_data_path

(

std::string

file_name

)

Return the full path to installed data.

Each module has its own data directory, so be sure to use the version of this function in the correct module. To read the data file "data_library" that was placed in the data directory of module "mymodule", do something like

std::ifstream in(IMP::mymodule::get_data_path("data_library"));

This will ensure that the code works when IMP is installed or used via the setup_environment.sh script.

std::string IMP::multi_state::get_example_path

(

std::string

file_name

)

Return the path to installed example data for this module.

Each module has its own example directory, so be sure to use the version of this function in the correct module. For example to read the file example_protein.pdb located in the examples directory of the IMP::atom module, do

 IMP::atom::read_pdb(IMP::atom::get_example_path("example_protein.pdb",
model));

This will ensure that the code works when IMP is installed or used via the setup_environment.sh script.