Support for output of models in mmCIF format. More...

Detailed Description

Support for output of models in mmCIF format.

This module adds basic support for outputing IMP models in mmCIF format, using the integrative/hybrid modeling extensions. This allows IMP models to be deposited in PDB-dev.

Note that this module is still under heavy development, and not yet completely functional.

Info

Author(s): Benjamin Webb

Maintainer: benmwebb

License: LGPL

Publications:

Namespaces
	data
	Classes to represent data structures used in mmCIF.

	metadata
	Classes to extract metadata for various input files.

	restraint
	Map IMP restraints to mmCIF categories.

	util
	Utility functions for IMP.mmcif.

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 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::mmcif::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

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

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

Note: Each module has its own data directory, so be sure to use this function from the correct module.

std::string IMP::mmcif::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

std::ifstream in(IMP::mmcif::get_example_path("example_protein.pdb"));

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

Note: Each module has its own example directory, so be sure to use this function from the correct module.