Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Functions
per_residue_energies.cc File Reference

simple application for printing out energies from a Pose. More...

#include <devel/init.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <basic/options/option.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/io/silent/SilentStruct.hh>
#include <core/io/silent/ScoreFileSilentStruct.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/SilentFileOptions.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <utility/vector1.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/james.OptionKeys.gen.hh>
#include <string>

Functions

std::string pdb_id (core::pose::PDBInfo const &pdbinfo, core::Size ii)
 
void all_pair_energies (core::pose::Pose &pose, core::scoring::ScoreFunctionOP scorefxn, utility::vector1< utility::vector1< core::Real > > &pairwise_energies)
 
int main (int argc, char *argv[])
 

Detailed Description

simple application for printing out energies from a Pose.

Author
James Thompson
Promoted to public by Rocco Moretti (rmore.nosp@m.tti@.nosp@m.u.was.nosp@m.hing.nosp@m.ton.e.nosp@m.du)

Function Documentation

void all_pair_energies ( core::pose::Pose pose,
core::scoring::ScoreFunctionOP  scorefxn,
utility::vector1< utility::vector1< core::Real > > &  pairwise_energies 
)

References test.T200_Scoring::ii, and runtime_assert.

Referenced by main().

int main ( int  argc,
char *  argv[] 
)
std::string pdb_id ( core::pose::PDBInfo const &  pdbinfo,
core::Size  ii 
)

References ObjexxFCL::string_of().

Referenced by main().