Rosetta  2019.47
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Functions | Variables
interface_energy.cc File Reference
#include <basic/Tracer.hh>
#include <basic/options/util.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <devel/init.hh>
#include <core/scoring/methods/ContextDependentLRTwoBodyEnergy.hh>
#include <core/scoring/methods/ContextIndependentLRTwoBodyEnergy.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/methods/Methods.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/Pose.hh>
#include <utility/vector1.hh>
#include <string>
#include <iostream>
#include <fstream>

Functions

void load_set (std::string setf, utility::vector1< Size > &rset, core::pose::Pose &ps)
 loads a set of residues from file. The file format is as follows: More...
 
void print_pdb_info (Size ridx, core::pose::Pose const &ps)
 given a residue in a pose, prints its identifier in the PDB file from which the pose was loaded. More...
 
int main (int argc, char *argv[])
 

Variables

static basic::Tracer TR ("interface_energy.main")
 

Function Documentation

void load_set ( std::string  setf,
utility::vector1< Size > &  rset,
core::pose::Pose ps 
)

loads a set of residues from file. The file format is as follows:

C1 R1 I1
... CN RN IN
Here, Ci, Ri, and Ii indicate the chain identifier, residue index, and insertion code (as specified in the pose's input PDB file) of the ith residue in the set (i=1,...,N; N>=1).

Parameters
[in]pathto the input file.
[out]rsetvector to hold the residues. The vector must be passed empty.
[in]psthe pose.

: after this function has been called, rset[i] is the pose index of the residue specified by the ith input line (i=1,...,N).

: blank chain identifiers and insertion codes must be specified with the '_' character.

References utility::options::OptionKeys::options::exit, and basic::options::TR.

Referenced by main().

int main ( int  argc,
char *  argv[] 
)
void print_pdb_info ( Size  ridx,
core::pose::Pose const &  ps 
)

given a residue in a pose, prints its identifier in the PDB file from which the pose was loaded.

Parameters
[in]ridxindex of one residue in the pose
[in]psthe pose

blank chain identifiers and insertion codes are printed as '_'.

References utility::io::oc::cout.

Referenced by main().

Variable Documentation

basic::Tracer TR("interface_energy.main")
static