IMP  2.4.0
The Integrative Modeling Platform
IMP::saxs_merge Namespace Reference

Detailed Description

saxs_merge

A method for merging SAXS profiles using Gaussian processes. Small-Angle X-ray Scattering (SAXS) is an experimental technique that allows gathering structural information on biomolecules in solution. High-quality SAXS profiles are usually obtained by manual merging of scattering profiles from different concentrations and exposure times.

SAXS Merge is a fully automated statistical method for merging SAXS profiles using Gaussian processes. This method requires only the buffer-subtracted profile files in a specific order. At the heart of its formulation is nonlinear interpolation using Gaussian Processes, which provide a statement of the problem that accounts for correlation in the data.

A webserver is also available.

Examples:

Info

Author(s): Yannick Spill, Seong Joong Kim, Dina Schneidman-Duhovny

Maintainer: yannickspill

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:

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::saxs_merge::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::saxs_merge::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.