IMP  2.0.1
The Integrative Modeling Platform
IMP::rotamer Namespace Reference

See IMP.rotamer Overview 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

Pass or store a set of ResidueRotamer .

Definition at line 107 of file RotamerCalculator.h.

Pass or store a set of RotamerAngleTuple .

Definition at line 92 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 tools/imppy.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 tools/imppy.sh script.