IMP Reference Guide
2.8.0
The Integrative Modeling Platform
|
Sampling of sidechain rotamers. More...
Sampling of sidechain rotamers.
Author(s): Elina Tjioe
Maintainer: etjioe
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:
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::Vector < ResidueRotamer > | ResidueRotamers |
typedef IMP::Vector < RotamerAngleTuple > | RotamerAngleTuples |
Standard module functions | |
All | |
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... | |
Pass or store a set of ResidueRotamer .
Definition at line 92 of file RotamerCalculator.h.
Pass or store a set of RotamerAngleTuple .
Definition at line 66 of file RotamerLibrary.h.
std::string IMP::rotamer::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
This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh
script.
std::string IMP::rotamer::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
This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh
script.