IMP::rotamer Namespace Reference

See IMP.rotamer for more information.

Classes
class	ResidueRotamer
	A class storing the rotated coordinates of the atoms in the residue. More...
class	RotamerAngleTuple
	A simple class storing chi angles and their probability. More...
class	RotamerCalculator
	A class performing the rotations of atoms in the residues. More...
class	RotamerLibrary
	A class storing a whole rotamer library read from a file. More...

Typedefs
typedef IMP::base::Vector < ResidueRotamer >	ResidueRotamers
typedef IMP::base::Vector < RotamerAngleTuple >	RotamerAngleTuples

Functions
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...

Standard module methods
All IMP modules have a set of standard methods to help get information about the module and about files associated with the module.
std::string	get_module_version ()
std::string	get_module_name ()

Typedef Documentation

typedef IMP::base::Vector< ResidueRotamer > IMP::rotamer::ResidueRotamers

Pass or store a set of ResidueRotamer .

Definition at line 92 of file RotamerCalculator.h.

typedef IMP::base::Vector< RotamerAngleTuple > IMP::rotamer::RotamerAngleTuples

Pass or store a set of RotamerAngleTuple .

Definition at line 66 of file RotamerLibrary.h.

Function Documentation

std::string IMP::rotamer::get_data_path

(

std::string

file_name

)

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::rotamer::get_example_path

(

std::string

file_name

)

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.